SCHEMBL59103

SCHEMBL59103

CC1(C)OB(c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)OC1(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.60
TRPV1 Q8NER1 1/20 0.60
PDGFRB P09619 1/20 0.53
NTRK1 P04629 1/20 0.52
CDK19 Q9BWU1 1/20 0.52
KMT2A Q03164 6/20 0.50
GRIK1 P39086 6/20 0.50
MEN1 O00255 5/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
XBP1 P17861 1/20 0.47
CYP2C19 P33261 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL59095 0.89 KDR (0.53) KDRTRPV1PDGFRBNTRK1CDK19
SCHEMBL59228 0.89 KDR (0.53) KDRTRPV1PDGFRBNTRK1CDK19
SCHEMBL59604 0.86 KMT2A (0.61) KDRPDGFRBKMT2AMEN1MAPT
SCHEMBL58719 0.84 KDR (0.53) KDRTRPV1PDGFRBNTRK1KMT2A
SCHEMBL60505 0.82 KDR (0.50) KDRTRPV1PDGFRBNTRK1MAPT
SCHEMBL3385691 0.82 KCNJ5 (0.51) KDRPDGFRBKMT2AMEN1MAPT
SCHEMBL14033133 0.80 KDR (0.57) KDRPDGFRBNTRK1CDK19KMT2A
SCHEMBL59458 0.80 KMT2A (0.66) KDRPDGFRBKMT2AMEN1MAPT
SCHEMBL60251 0.80 KMT2A (0.53) KDRPDGFRBKMT2AGRIK1MEN1
SCHEMBL58537 0.80 CHRNA7 (0.51) KDRTRPV1PDGFRBKMT2AGRIK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
EP-1957077-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2014-01-22 EP disclosed
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
EP-2465505-A1 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis Bayer HealthCare LLC (US) 2012-06-20 EP disclosed
EP-2465505-A1 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis Bayer HealthCare LLC (US) 2012-06-20 EP disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US disclosed
EP-1957077-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer HealthCare LLC (US) 2008-08-20 EP disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed
WO-2007064883-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC. (US) 2007-06-07 WO disclosed
WO-2007064883-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC. (US) 2007-06-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 KDR 41/4885TRPV1 2154/4885PDGFRB 453/4885
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, FLT4, CDKL4 KDR 27/4885TRPV1 2512/4885PDGFRB 367/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 KDR 27/4885TRPV1 2512/4885PDGFRB 367/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.