SCHEMBL5235484

SCHEMBL5235484

Nc1nnc(Cc2ccc(O)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
ESR2 Q92731 2/20 0.46
RAB9A P51151 4/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ABAT P80404 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR3A P46098 1/20 0.36
BACE1 P56817 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL14846359 0.84 ESR1 (0.50) ESR1ESR2RAB9ASMN1; SMN2TSHR
SCHEMBL5915148 0.81 RAB9A (0.59) RAB9AHPGDSMN1; SMN2TSHRNPC1
SCHEMBL1733770 0.72 HPGD (0.47) RAB9AHPGDSMN1; SMN2TSHRNPC1
Hydrazinecarboxamide SCHEMBL22471911 0.72 RAB9A (0.45) RAB9AHPGDSMN1; SMN2TSHRNPC1
SCHEMBL5640654 0.70 NPC1 (0.73) RAB9AHPGDSMN1; SMN2TSHRNPC1
SCHEMBL2969737 0.67 ESR1 (1.00) ESR1ESR2RAB9AHPGDNPC1
SCHEMBL36454 0.67 ESR1 (1.00) ESR1ESR2RAB9AHPGDNPC1
SCHEMBL12550898 0.67 KDM4E (0.66) RAB9AHPGDSMN1; SMN2NPC1TP53
SCHEMBL31043960 0.67 RAB9A (0.49) RAB9AHPGDSMN1; SMN2TSHRNPC1
SCHEMBL15256489 0.67 ESR1 (0.46) ESR1ESR2RAB9ANPC1KEAP1

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
EP-1644377-A4 TRIAZOLOTRIAZINE COMPOUNDS AND USES THEREOF SUGEN INC (US) 2007-09-05 EP disclosed
US-7122548-B2 Triazolotriazine compounds and uses thereof SUGEN, INC. (US) 2006-10-17 US disclosed
US-7037909-B2 Tetracyclic compounds as c-Met inhibitors SUGEN, INC. (US) 2006-05-02 US disclosed
EP-1644377-A1 TRIAZOLOTRIAZINE COMPOUNDS AND USES THEREOF Sugen, Inc. (US) 2006-04-12 EP disclosed
US-20050075340-A1 Triazolotriazine compounds and uses thereof SUGEN, INC. 2005-04-07 US disclosed
WO-2005010005-A1 TRIAZOLOTRIAZINE COMPOUNDS AND USES THEREOF SUGEN, INC. (US) 2005-02-03 WO disclosed
WO-2005004808-A2 TETRACYCLIC COMPOUNDS AS c-MET INHIBITORS SUGEN, INC. (US) 2005-01-20 WO disclosed
US-20050014755-A1 Tetracyclic compounds as c-Met inhibitors SUGEN INC. 2005-01-20 US 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-20050014755-A1 Tetracyclic compounds as c-Met inhibitors MET, RET, HGF ESR1 1069/4885ESR2 341/4885RAB9A 921/4885
US-20050075340-A1 Triazolotriazine compounds and uses thereof MET, TPMT, RET ESR1 3133/4885ESR2 1287/4885RAB9A 3884/4885

“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.