SCHEMBL6402245

SCHEMBL6402245

Cc1cccc(Cl)c1-n1nc(C(C)C)c(C(N)=O)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 3/20 0.50
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
RIPK2 O43353 4/20 0.38
TSHR P16473 1/20 0.38
PKMYT1 Q99640 5/20 0.36
WEE1 P30291 3/20 0.36
EPHB3 P54753 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
CCNK O75909 1/20 0.34
CCND3 P30281 1/20 0.34
GSK3B P49841 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
CDK6 Q00534 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
PLK4 O00444 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL1180138 0.92 SRC (0.45) EPHB4SRCKDRRIPK2TSHR
SCHEMBL6208048 0.80 KDR (0.57) SRCKDRRIPK2
SCHEMBL13306147 0.80 SRC (0.45) EPHB4SRCKDRRIPK2MAPT
SCHEMBL6639194 0.77 MAPT (0.40) EPHB4TSHRHSD17B10MAPTCYP2C9
SCHEMBL22284003 0.72 SRC (0.48) EPHB4SRCKDRRIPK2TSHR
SCHEMBL8043489 0.72 RIPK2 (0.54) EPHB4SRCKDRRIPK2TSHR
SCHEMBL2349535 0.71 SRC (0.40) SRCKDRRIPK2PKMYT1PLK4
SCHEMBL15428664 0.70 EPHB4 (0.44) EPHB4TSHRHSD17B10MAPTSCN9A
SCHEMBL12869581 0.68 CCNK (0.33) CCNKCCND3GSK3BCDK7CDK9
SCHEMBL1179221 0.68 GABRP (0.43) TSHRMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383769-A4 6-SUBSTITUTED PYRAZOLO 3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-03 EP disclosed
EP-1121363-B1 6-SUBSTITUTED PYRAZOLO(3,4-d)PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-12-22 EP disclosed
EP-1383769-A2 6-SUBSTITUTED PYRAZOLO 3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2004-01-28 EP disclosed
US-6559152-B2 For therapy of cancer or other proliferative diseases DUPONT PHARMACEUTICALS COMPANY 2003-05-06 US disclosed
US-6531477-B1 Treating cancer or other proliferative diseases DUPONT PHARMACEUTICALS COMPANY 2003-03-11 US disclosed
WO-2002067654-A3 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-10-31 WO disclosed
WO-2002067654-A2 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-09-06 WO disclosed
US-20020013328-A1 6-Substituted pyrazolo[3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US disclosed
EP-1121363-A2 6-SUBSTITUTED PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-08-08 EP disclosed
WO-2000021926-A2 6-SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-04-20 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 (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-20020013328-A1 6-Substituted pyrazolo[3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors CCNK, CCNI, CDK1 EPHB4 3931/4885SRC 1160/4885KDR 2834/4885

“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.