SCHEMBL1683389

SCHEMBL1683389

C=CCNc1ccnc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.46
AXL P30530 1/20 0.46
ROCK1 Q13464 3/20 0.43
PTK2 Q05397 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
PRKACA P17612 3/20 0.41
AURKB Q96GD4 3/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CDK9 P50750 2/20 0.41
PRKCQ Q04759 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41

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
SCHEMBL4890543 0.76 CA12 (0.44) ROCK1CA12CA1CA2CA9
SCHEMBL12561879 0.73 UTS2R (0.55) PRKCIAXLROCK1PTK2JAK2
SCHEMBL857193 0.73 PKM (0.56) PRKCIAXLROCK1PTK2JAK2
SCHEMBL1881471 0.72 HTR1A (0.67)
SCHEMBL4890538 0.72 CA12 (0.38) CA12CA1CA2CA9CA14
SCHEMBL5311905 0.72 PTPN1 (0.58) PRKCIAXLROCK1JAK2JAK1
SCHEMBL3093132 0.72 PRKCI (0.55) PRKCIAXLROCK1PTK2JAK2
SCHEMBL23070410 0.71 CYP1A2 (0.70)
SCHEMBL20508767 0.70 NUDT1 (0.48) PRKCIAXLROCK1PTK2JAK2
SCHEMBL15556761 0.70 PRKCI (0.36) PRKCIAXLPTK2JAK2JAK1

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-1539763-B1 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
EP-1539763-A4 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-01 EP disclosed
US-20060058304-A1 Azaindole kinase inhibitors BHIDE RAJEEV S 2006-03-16 US disclosed
US-6969717-B2 Azaindole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-29 US disclosed
EP-1539763-A1 AZAINDOLE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
US-20040063707-A1 Azaindole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004009601-A1 AZAINDOLE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 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 (2 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-20040063707-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 PRKCI 757/4885AXL 103/4885ROCK1 208/4885
US-20060058304-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 PRKCI 754/4885AXL 82/4885ROCK1 201/4885

“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.