SCHEMBL59779

SCHEMBL59779

COc1cccc(NC(=O)Oc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.48
SORT1 Q99523 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.46
MAPK8 P45983 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
GRM5 P41594 1/20 0.44

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
SCHEMBL57971 0.87 GRM5 (0.47) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL9520682 0.83 ALDH1A1 (0.52) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL1010432 0.83 ALDH1A1 (0.49) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL59299 0.82 KMT2A (0.50) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL59718 0.82 GRM5 (0.62) SMN1; SMN2MEN1KMT2AMAPTGRM5
SCHEMBL1576702 0.81 MAPT (0.59) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL896513 0.81 ALDH1A1 (0.53) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL896894 0.80 ALDH1A1 (0.52) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL15890196 0.79 NPC1 (0.59) ALDH1A1GAAHTTSMN1; SMN2MEN1
SCHEMBL1011423 0.78 ALDH1A1 (0.50) ALDH1A1GAAHTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107417578-B N- (3, 5-dimethyl adamantane-1-yl) -N' -substituted phenylurea compound and preparation method and application thereof 沈阳海诺威医药科技有限公司 2020-02-07 CN 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-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 ALDH1A1 3325/4885GAA 1922/4885HTT 141/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ALDH1A1 3327/4885GAA 1758/4885HTT 125/4885

“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.