SCHEMBL9005201

SCHEMBL9005201

CSc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2ncc(C(N)=O)n2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
JAK2 O60674 2/20 0.49
LRRK2 Q5S007 1/20 0.49
BTK Q06187 6/20 0.48
PLK4 O00444 1/20 0.47
TNKS O95271 1/20 0.47
SYK P43405 1/20 0.46
HPGD P15428 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KIT P10721 1/20 0.45
FLT3 P36888 1/20 0.45
PTK2 Q05397 1/20 0.44
MTOR P42345 1/20 0.43
JAK3 P52333 4/20 0.43
EGFR P00533 3/20 0.43
LCK P06239 3/20 0.43
MAPK10 P53779 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42

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
SCHEMBL9069075 0.86 TNKS (0.49) JAK2LRRK2BTKPLK4TNKS
SCHEMBL9005172 0.85 CCNA2 (0.49) CCNA2CDK2JAK2LRRK2BTK
SCHEMBL9005166 0.85 SYK (0.47) JAK2LRRK2BTKPLK4TNKS
SCHEMBL9069855 0.85 CCNA2 (0.49) CCNA2CDK2JAK2LRRK2BTK
SCHEMBL14078044 0.83 SYK (0.55) BTKSYKJAK3EGFRLCK
SCHEMBL9005121 0.81 CCNA2 (0.46) CCNA2CDK2JAK2LRRK2BTK
SCHEMBL9004682 0.80 BTK (0.58) CCNA2CDK2JAK2LRRK2BTK
SCHEMBL16763697 0.78 BTK (0.60) BTKJAK3EGFRLCK
SCHEMBL9069060 0.75 BTK (0.58) JAK2LRRK2BTKPLK4TNKS
SCHEMBL9005178 0.74 BTK (0.65) BTKJAK3EGFRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 US disclosed
WO-2008116064-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-25 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-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 CCNA2 732/4885CDK2 119/4885JAK2 16/4885

“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.