SCHEMBL4700631

SCHEMBL4700631

CCOC(=O)c1nn(-c2ccccn2)c(N)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.67
NPC1 O15118 1/20 0.67
TP53 P04637 1/20 0.67
RAB9A P51151 1/20 0.67
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 8/20 0.54
HSD17B10 Q99714 3/20 0.54
PLK4 O00444 1/20 0.50
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
MAP4K4 O95819 1/20 0.50
INSR P06213 1/20 0.50
ROS1 P08922 1/20 0.50
PIM1 P11309 1/20 0.50
PHKG2 P15735 1/20 0.50
PRKACA P17612 1/20 0.50
RPS6KB1 P23443 1/20 0.50
AKT1 P31749 1/20 0.50
FLT3 P36888 1/20 0.50
CSNK1D P48730 1/20 0.50

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
SCHEMBL4705138 0.84 ALDH1A1 (0.52) HPGDNPC1TP53RAB9AALDH1A1
SCHEMBL10556383 0.82 HPGD (0.63) HPGDNPC1TP53RAB9AALDH1A1
SCHEMBL4038334 0.82 ALDH1A1 (0.74) HPGDNPC1TP53RAB9AALDH1A1
SCHEMBL1335629 0.80 NPC1 (1.00) HPGDNPC1TP53RAB9AALDH1A1
SCHEMBL4702010 0.80 MAPT (0.64) HPGDNPC1TP53RAB9AALDH1A1
SCHEMBL9372253 0.79 HPGD (0.58) HPGDNPC1TP53RAB9AALDH1A1
SCHEMBL18591511 0.79 HPGD (0.55) HPGDNPC1TP53RAB9AALDH1A1
SCHEMBL4703620 0.78 ALDH1A1 (0.57) HPGDTP53RAB9AALDH1A1KDM4E
SCHEMBL4700330 0.78 HPGD (0.60) HPGDNPC1TP53RAB9AALDH1A1
SCHEMBL7479238 0.77 ALDH1A1 (0.57) HPGDNPC1TP53RAB9AALDH1A1

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 5 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-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
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 HPGD 260/4885NPC1 1217/4885TP53 3282/4885
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 797/4885NPC1 1768/4885TP53 4036/4885

“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.