SCHEMBL60880

SCHEMBL60880

CC1(C)OB(c2cc(F)c(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2F)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.56
PDGFRB P09619 2/20 0.49
TRPV1 Q8NER1 13/20 0.49
CA9 Q16790 3/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
RIPK2 O43353 1/20 0.47
ABCB11 O95342 1/20 0.47
ABL1 P00519 1/20 0.47
RAF1 P04049 1/20 0.47
NR3C1 P04150 1/20 0.47
RET P07949 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
KIT P10721 1/20 0.47
CHRM1 P11229 1/20 0.47
BCR P11274 1/20 0.47
FGFR1 P11362 1/20 0.47
RARG P13631 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
SCHEMBL59396 0.91 AR (0.48) KDRPDGFRBKITBRAFFLT3
SCHEMBL58189 0.89 MEN1 (0.53) KDRPDGFRBCA9CA2RAF1
SCHEMBL60080 0.84 CHRNA7 (0.49) KDRPDGFRBTRPV1BRAF
SCHEMBL28456685 0.82 KDR (0.65) KDRPDGFRBTRPV1CA9CA1
SCHEMBL60226 0.82 KMT2A (0.51) KDRPDGFRBTRPV1
SCHEMBL58722 0.82 KDR (0.58) KDRPDGFRBTRPV1CA9CA1
SCHEMBL60310 0.81 EPHX2 (0.48) TRPV1CA9CA1CA2EPHX2
SCHEMBL60108 0.81 MEN1 (0.54) MAPK14
SCHEMBL2122840 0.79 KDR (0.61) KDRPDGFRBTRPV1CA9CA1
SCHEMBL60597 0.79 KDR (0.49) KDRPDGFRBCA9CA1CA2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 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
EP-1957485-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

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

For each of this compound's patents that has machine-readable text (2 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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 KDR 41/4885PDGFRB 408/4885TRPV1 2264/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 KDR 41/4885PDGFRB 453/4885TRPV1 2154/4885

“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.