SCHEMBL3387167

SCHEMBL3387167

CCC(=O)Oc1ccc(C#N)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
ACHE P22303 2/20 0.46
KMT2A Q03164 2/20 0.45
ESR1 P03372 2/20 0.45
HIF1A Q16665 2/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ELANE P08246 1/20 0.42
PGR P06401 2/20 0.41

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
SCHEMBL8071507 0.83 AR (0.54) ARMRGPRX4ACHEKDM4EPGR
SCHEMBL1512534 0.80 ESR1 (0.53) ACHEKMT2AESR1HIF1ARECQL
SCHEMBL27569649 0.80 ACHE (0.47) ARACHEKMT2AESR1HIF1A
SCHEMBL29042312 0.80 AR (0.48) ARMRGPRX4KMT2ACASP1PGR
SCHEMBL11471018 0.78 KMT2A (0.50) ACHEKMT2AESR1HIF1ARECQL
SCHEMBL9422499 0.78 ESR1 (0.51) ACHEKMT2AESR1HIF1ARECQL
SCHEMBL4950133 0.77 ALDH1A1 (0.50) ARMRGPRX4KMT2ASMN1; SMN2KDM4E
SCHEMBL27578640 0.76 ESR1 (0.50) ACHEKMT2AESR1HIF1ARECQL
SCHEMBL10716263 0.76 MAPT (0.50) ARMRGPRX4KMT2ASMN1; SMN2KDM4E
SCHEMBL3291593 0.76 AR (0.41) ARMRGPRX4PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423380-B1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2010-12-15 EP disclosed
EP-1423382-B1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2008-04-16 EP disclosed
US-7279476-B2 Anticancer agents, antiinflamamtory agents, restenosis, cardiovascular disorders; insertable device VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7183307-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCROPORATED (US) 2007-02-27 US disclosed
US-20050215550-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-09-29 US disclosed
US-6875789-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-05 US disclosed
US-20040209935-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-10-21 US disclosed
US-6750239-B2 USEFUL FOR TREATING DISEASE STATES IN MAMMALS THAT ARE ALLEVIATED BY A PROTEIN KINASE INHIBITOR, PARTICULARLY DISEASES SUCH AS CANCER, INFLAMMATORY DISORDERS, RESTENOSIS, AND CARDIOVASCULAR DISEASE VERTEX PHARMACEUTICALS INCORPORATED 2004-06-15 US disclosed
EP-1423382-A2 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-06-02 EP disclosed
EP-1423380-A1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-06-02 EP disclosed
US-20030144337-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-07-31 US disclosed
US-20030139452-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-07-24 US disclosed
WO-2003011855-A2 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 WO disclosed
WO-2003011854-A1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 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 (4 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-20040209935-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 AR 2745/4885MRGPRX4 1034/4885ACHE 4709/4885
US-20050215550-A1 Pyrazole-derived kinase inhibitors and uses thereof MAP3K19, MAP3K1, MAP3K3 AR 2587/4885MRGPRX4 815/4885ACHE 4555/4885
US-20030139452-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 AR 2990/4885MRGPRX4 891/4885ACHE 4737/4885
US-20030144337-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 AR 2745/4885MRGPRX4 1034/4885ACHE 4709/4885

“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.