SCHEMBL9004682

SCHEMBL9004682

CSc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nccn2n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.58
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
JAK2 O60674 2/20 0.50
LRRK2 Q5S007 1/20 0.50
PLK4 O00444 1/20 0.49
HPGD P15428 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TNKS O95271 1/20 0.47
KIT P10721 1/20 0.45
FLT3 P36888 1/20 0.45
PTK2 Q05397 1/20 0.45
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
MTOR P42345 1/20 0.44
TTK P33981 1/20 0.43
MAP4K4 O95819 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL9068893 0.86 BTK (0.59) BTKJAK2LRRK2PLK4HPGD
SCHEMBL9004734 0.84 BTK (0.57) BTKJAK2LRRK2PLK4HPGD
SCHEMBL14077948 0.82 BTK (0.56) BTKHPGDRXFP1TNKS
SCHEMBL9005201 0.80 CCNA2 (0.50) BTKCCNA2CDK2JAK2LRRK2
SCHEMBL9005172 0.79 CCNA2 (0.49) BTKCCNA2CDK2JAK2LRRK2
SCHEMBL9069855 0.79 CCNA2 (0.49) BTKCCNA2CDK2JAK2LRRK2
SCHEMBL12611841 0.79 BTK (0.73) BTKJAK2HPGDRXFP1FLT3
SCHEMBL9004786 0.77 MAPT (0.50) CCNA2CDK2JAK2HPGDRXFP1
SCHEMBL3316553 0.77 CCNA2 (0.50) BTKCCNA2CDK2JAK2LRRK2
SCHEMBL12611678 0.76 BTK (0.69) BTKJAK2FLT3

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 BTK 1/4885CCNA2 732/4885CDK2 119/4885

“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.