SCHEMBL1836259

SCHEMBL1836259

Nc1nccc(-c2c[nH]c3ncc(F)cc23)n1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 19/20 0.76
CCNA2 P20248 19/20 0.76
CDK2 P24941 19/20 0.76
CDK9 P50750 19/20 0.76
MAP3K14 Q99558 1/20 0.66
CCNA1 P78396 2/20 0.63
CDK5 Q00535 2/20 0.63
CDK5R1 Q15078 2/20 0.63
PDPK1 O15530 1/20 0.63

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
SCHEMBL18941987 0.86 CCNT1 (1.00) CCNT1CCNA2CDK2CDK9MAP3K14
SCHEMBL1839008 0.86 CCNT1 (0.67) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL18942004 0.84 CCNT1 (1.00) CCNT1CCNA2CDK2CDK9MAP3K14
SCHEMBL2238094 0.84 CDK5 (0.66) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL1843060 0.81 CCNT1 (0.80) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL1841954 0.81 CCNT1 (0.77) CCNT1CCNA2CDK2CDK9MAP3K14
SCHEMBL2239305 0.79 CLK1 (0.66) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL18941884 0.79 CCNT1 (0.79) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL18941992 0.79 CCNT1 (1.00) CCNT1CCNA2CDK2CDK9MAP3K14
SCHEMBL18941886 0.78 CCNT1 (1.00) CCNT1CCNA2CDK2CDK9PDPK1

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
JP-2011526931-A 2011-10-20 JP claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US claimed
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN claimed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP claimed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 CCNT1 25/4885CCNA2 39/4885CDK2 7/4885

“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.