SCHEMBL4700330

SCHEMBL4700330

CCOC(=O)c1cc(N)n(-c2ccccn2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
TP53 P04637 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 5/20 0.58
MAPT P10636 6/20 0.53
KDM4E B2RXH2 4/20 0.53
GAA P10253 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA9 Q16790 1/20 0.46
SLC11A2 P49281 1/20 0.44
PTGS2 P35354 1/20 0.44
CASP1 P29466 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
SCHEMBL28897905 0.88 HPGD (0.47) HPGDTP53NPC1RAB9AALDH1A1
SCHEMBL17011148 0.86 ALDH1A1 (0.59) HPGDTP53NPC1RAB9AALDH1A1
SCHEMBL2835335 0.82 KMT2A (0.65) HPGDTP53ALDH1A1MAPTKDM4E
SCHEMBL10556383 0.80 HPGD (0.63) HPGDTP53NPC1RAB9AALDH1A1
SCHEMBL3699949 0.80 MAPT (0.53) HPGDTP53ALDH1A1MAPTKDM4E
SCHEMBL28442189 0.79 CNR1 (0.51) HPGDTP53NPC1RAB9AALDH1A1
SCHEMBL6454155 0.78 ALDH1A1 (0.53) HPGDTP53NPC1RAB9AALDH1A1
SCHEMBL4932988 0.78 ALDH1A1 (0.53) HPGDTP53NPC1RAB9AALDH1A1
SCHEMBL6453503 0.78 ALDH1A1 (0.53) HPGDTP53NPC1RAB9AALDH1A1
SCHEMBL5525612 0.78 ALDH1A1 (0.53) HPGDTP53NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7300949-B2 Thiazolopyrazoles and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2007-11-27 US disclosed
US-7300949-B2 Thiazolopyrazoles and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2007-11-27 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP 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 (3 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 HPGD 260/4885TP53 3282/4885NPC1 1217/4885
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 HPGD 19/4885TP53 1097/4885NPC1 4224/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 HPGD 797/4885TP53 4036/4885NPC1 1768/4885

“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.