SCHEMBL9004540

SCHEMBL9004540

O=C(N[C@@H]1CCCN(c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)c3nccn3n2)C1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.59
LCK P06239 4/20 0.54
EGFR P00533 3/20 0.54
JAK3 P52333 1/20 0.50

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
SCHEMBL9005193 0.89 BTK (0.71) BTKLCKEGFRJAK3
SCHEMBL9004538 0.82 BTK (0.84) BTKLCKEGFRJAK3
SCHEMBL9004583 0.82 BTK (0.84) BTKLCKEGFRJAK3
SCHEMBL9004797 0.82 BTK (0.62) BTKLCKEGFRJAK3
SCHEMBL14078349 0.81 BTK (0.58) BTKLCKEGFR
SCHEMBL14077948 0.80 BTK (0.56) BTKLCKJAK3
SCHEMBL9005111 0.76 BTK (0.62) BTKLCKEGFRJAK3
SCHEMBL9004817 0.75 BTK (0.85) BTKLCKEGFRJAK3
SCHEMBL9004708 0.75 BTK (0.85) BTKLCKEGFRJAK3
SCHEMBL9004844 0.74 BTK (0.82) BTKLCKEGFRJAK3

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 1/4885LCK 5/4885EGFR 247/4885

“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.