SCHEMBL1662366

SCHEMBL1662366

COc1ccnc2[nH]nc(C3CCC3)c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 12/20 0.39
CDK9 P50750 12/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
CDK5 Q00535 3/20 0.39
CDK5R1 Q15078 3/20 0.39
HTR2A P28223 1/20 0.38
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
LRRK2 Q5S007 2/20 0.35
MAT2A P31153 1/20 0.34
FYN P06241 1/20 0.34
TRIM24 O15164 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD3 Q15059 1/20 0.34
CREBBP Q92793 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
SCHEMBL30592291 0.94 CCNT1 (0.41) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL17837929 0.89 FYN (0.45) CCNT1CDK9CDK2FYN
SCHEMBL25747911 0.78 LRRK2 (0.34) LRRK2
SCHEMBL12019130 0.76 CCNT1 (0.34) CCNT1CDK9CDK2CDK5CDK5R1
SCHEMBL6865122 0.75 HTR2A (0.34) CCNT1CDK9CDK2CDK5CDK5R1
SCHEMBL20485631 0.71 FYN (0.70) CCNT1CDK9CDK2FYN
SCHEMBL30521804 0.71 FYN (0.70) CCNT1CDK9CDK2FYN
SCHEMBL20485980 0.70 FYN (0.70) CCNT1CDK9CDK2FYN
SCHEMBL30521809 0.70 FYN (0.70) CCNT1CDK9CDK2FYN
SCHEMBL17861732 0.70 MKNK1 (0.41) CCNT1CDK9FYNBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 US disclosed
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 US disclosed
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 US disclosed
EP-2490693-A1 PYRAZOLO [3,4-b]PYRIDIN-4-ONE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
WO-2011049722-A1 PYRAZOLO [3,4-b] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 WO disclosed
WO-2011049722-A1 PYRAZOLO [3,4-b] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 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-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS CDK1, CDK5, TTBK1 CCNT1 228/4885CDK9 33/4885CCNA2 312/4885

“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.