SCHEMBL9004584

SCHEMBL9004584

O=C(c1ccc(Nc2cc(N[C@H]3CCCNC3)nn3ccnc23)cc1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.54
FLT3 P36888 8/20 0.47
CDK2 P24941 2/20 0.47
CCNE1 P24864 1/20 0.47
SYK P43405 1/20 0.45
CHEK1 O14757 1/20 0.45
PRKCI P41743 1/20 0.41
MAPKAPK2 P49137 1/20 0.40

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
SCHEMBL3017898 0.94 CDK2 (0.51) BTKFLT3CDK2CCNE1SYK
SCHEMBL3618938 0.85 FLT3 (0.62) BTKFLT3CDK2CCNE1SYK
SCHEMBL3023189 0.84 CDK2 (0.52) BTKFLT3CDK2CCNE1SYK
SCHEMBL3012108 0.82 FLT3 (0.46) BTKFLT3CDK2CCNE1SYK
SCHEMBL3023084 0.81 CDK2 (0.50) FLT3CDK2CCNE1SYKMAPKAPK2
SCHEMBL3018859 0.81 CDK2 (0.50) FLT3CDK2CCNE1SYKMAPKAPK2
SCHEMBL3018072 0.80 BTK (0.53) BTKFLT3CHEK1PRKCI
SCHEMBL4708842 0.79 CCNE1 (0.70) FLT3CDK2CCNE1
SCHEMBL3018299 0.79 FLT3 (0.49) FLT3CDK2CCNE1CHEK1MAPKAPK2
SCHEMBL3010145 0.78 CCNE1 (0.69) FLT3CDK2CCNE1

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 1/4885FLT3 11/4885CDK2 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.