SCHEMBL4997964

SCHEMBL4997964

COc1ccccc1C(=O)c1cnc(Cl)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
CDK1 P06493 3/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
CDK2 P24941 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.44
PIN1 Q13526 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RORB Q92753 2/20 0.43
RORC P51449 1/20 0.43
CTSD P07339 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL5001832 0.84 CDK1 (0.45) CDK1CDK4CCND1CDK2HTT
SCHEMBL3248668 0.81 ALDH1A1 (0.42) MEN1KMT2AHTTRXFP1POLB
SCHEMBL3255380 0.79 CNR2 (0.50) CNR2MEN1KMT2AHTTRXFP1
SCHEMBL10899012 0.78 RAB9A (0.56) CNR2MEN1KMT2AL3MBTL1RORB
SCHEMBL29658169 0.78 CTSD (0.62) CNR2HTTCTSDNPC1RAB9A
SCHEMBL322168 0.78 CTSD (0.62) CNR2HTTCTSDNPC1RAB9A
SCHEMBL20892585 0.77 CNR2 (0.58) CNR2MEN1KMT2ARXFP1RORB
SCHEMBL4979922 0.76 TUBB4A (0.46)
SCHEMBL27789892 0.76 CTSD (0.60) CNR2HTTCTSDNPC1RAB9A
SCHEMBL5001988 0.75 AKR1C3 (0.44) CDK2MEN1KMT2ANPC1RAB9A

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
US-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
US-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
US-7405220-B2 Pyrazolopyrimidines HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
EP-1758871-B1 PYRAZOLO PYRIMIDINES HOFFMANN LA ROCHE (CH) 2007-11-14 EP disclosed
EP-1758871-B1 PYRAZOLO PYRIMIDINES HOFFMANN LA ROCHE (CH) 2007-11-14 EP disclosed
EP-1758871-A1 PYRAZOLO PYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-07 EP disclosed
WO-2005121107-A1 PYRAZOLO PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO disclosed
US-20050277655-A1 e.g. [3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl-amine; cyclin-dependent kinase (Cdk1, 2, 4) inhibitor; anticarcinogenic agent; breast, lung, colon and prostate solid tumors DING QINGJIE 2005-12-15 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 (1 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-20050277655-A1 e.g. [3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl-amine; cyclin-dependent kinase (Cdk1, 2, 4) inhibitor; anticarcinogenic agent; breast, lung, colon and prostate solid tumors CDK1, CDK4, CDK2 CNR2 2750/4885CDK1 1/4885CDK4 2/4885

“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.