SCHEMBL57971

SCHEMBL57971

O=C(Nc1cccc(Oc2ccccc2)n1)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.44
RAD51 Q06609 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK8 P45983 1/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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 0.87 ALDH1A1 (0.51) GRM5ALDH1A1MAPTCYP1A2KMT2A
SCHEMBL7994137 0.82 MEN1 (0.68) GRM5KMT2AMEN1
SCHEMBL59299 0.80 KMT2A (0.50) GRM5ALDH1A1MAPTCYP1A2RAD51
SCHEMBL59718 0.80 GRM5 (0.62) GRM5MAPTKMT2AMEN1
SCHEMBL7244914 0.77 ALDH1A1 (0.56) ALDH1A1MAPTCYP1A2RAD51TRPV1
SCHEMBL24011576 0.77 ALDH1A1 (0.43) GRM5ALDH1A1MAPTCYP1A2RAD51
SCHEMBL30288121 0.77 ALDH1A1 (0.43) GRM5ALDH1A1MAPTCYP1A2RAD51
SCHEMBL29739290 0.77 ALDH1A1 (0.47) GRM5ALDH1A1MAPTCYP1A2RAD51
SCHEMBL1568515 0.77 TAS2R14 (0.52) ALDH1A1MAPTCYP1A2RAD51MAPK8
SCHEMBL60286 0.77 CHRNB2 (0.53) ALDH1A1MAPTCYP1A2KMT2AMEN1

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 GRM5 2232/4885ALDH1A1 3325/4885MAPT 890/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 GRM5 2307/4885ALDH1A1 3327/4885MAPT 923/4885

“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.