SCHEMBL59299

SCHEMBL59299

O=C(Nc1cccc(Br)n1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.48
GAA P10253 2/20 0.48
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CYP1A2 P05177 1/20 0.46
RAD51 Q06609 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
GRM5 P41594 1/20 0.44
NTRK1 P04629 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL59779 0.82 ALDH1A1 (0.51) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL59718 0.81 GRM5 (0.62) KMT2AMEN1MAPTGRM5SMN1; SMN2
SCHEMBL27693604 0.80 GRM5 (0.53) KMT2AMEN1CHRNB2CHRNA4ALDH1A1
SCHEMBL57971 0.80 GRM5 (0.47) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL1192307 0.78 GRM5 (0.57) KMT2AMEN1CHRNB2CHRNA4ALDH1A1
SCHEMBL7244914 0.78 ALDH1A1 (0.56) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL24011576 0.78 ALDH1A1 (0.43) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL29739290 0.78 ALDH1A1 (0.47) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL30288121 0.78 ALDH1A1 (0.43) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL1568515 0.78 TAS2R14 (0.52) ALDH1A1MAPTCYP1A2RAD51NTRK1

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 KMT2A 1055/4885MEN1 3972/4885GAA 1922/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 KMT2A 1107/4885MEN1 3993/4885GAA 1758/4885

“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.