SCHEMBL12019130

SCHEMBL12019130

COc1cc(C)nc2[nH]nc(C3CCC3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
JUND P17535 1/20 0.34
FOSB P53539 1/20 0.34
IGF1R P08069 2/20 0.34
PDE10A Q9Y233 2/20 0.34
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL6865122 0.85 HTR2A (0.34) CCNT1CCNE1CDK2CDK9CDK5
SCHEMBL1662366 0.76 CCNT1 (0.39) CCNT1CDK2CDK9CDK5CDK5R1
SCHEMBL30592291 0.70 CCNT1 (0.41) CCNT1CDK2CDK9CDK5CDK5R1
SCHEMBL17837929 0.66 FYN (0.45) CCNT1CDK2CDK9
SCHEMBL15443922 0.65 HSP90AA1 (0.36) JUNDFOSBIGF1RPDE10APDGFRB
SCHEMBL31350443 0.63 PDE3B (0.44) CYP1A2PDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL24542800 0.62 TRPC6 (0.46) PDE10APDGFRBPDGFRAHTR2AMAPT
SCHEMBL27667136 0.61 PDE10A (0.39) PDE10APDE3BPDE3APDGFRBPDGFRA
SCHEMBL18705507 0.60 PDE5A (0.33) PDE3BPDE3ASMN1; SMN2JAK2JAK1
SCHEMBL25846500 0.60 ADRA1A (0.35) SMN1; SMN2MAPT

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 1 patent. 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

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 228/4885CCNE1 116/4885CDK2 5/4885

“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.