SCHEMBL6643239

SCHEMBL6643239

CC(C)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 8/20 0.49
GABRD O14764 8/20 0.49
GABRA1 P14867 8/20 0.49
GABRB1 P18505 8/20 0.49
GABRG2 P18507 8/20 0.49
GABRB3 P28472 8/20 0.49
GABRA5 P31644 8/20 0.49
GABRA3 P34903 8/20 0.49
GABRA2 P47869 8/20 0.49
GABRB2 P47870 8/20 0.49
GABRA4 P48169 8/20 0.49
GABRE P78334 8/20 0.49
GABRA6 Q16445 8/20 0.49
GABRG1 Q8N1C3 8/20 0.49
GABRG3 Q99928 8/20 0.49
GABRQ Q9UN88 8/20 0.49
SMN1; SMN2 Q16637 2/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL13330183 0.87 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1179221 0.87 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2339931 0.81 PIK3CG (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7707406 0.81 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6639194 0.80 MAPT (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12449760 0.79 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7578491 0.79 GABRP (0.75) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6207279 0.79 L3MBTL1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10570539 0.76 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9342843 0.76 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 GABRP 3370/4885GABRD 4260/4885GABRA1 4414/4885

“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.