SCHEMBL13139775

SCHEMBL13139775

Cn1cc(Br)cc(Nc2ccc(N3CCCC3=O)cn2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.41
▸ F10 P00742 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ BRDT Q58F21 1/20 0.40
▸ PIP4K2A P48426 1/20 0.39
▸ BTK Q06187 8/20 0.39
▸ TNIK Q9UKE5 1/20 0.38
▸ SYK P43405 2/20 0.38

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
SCHEMBL1393493 0.86 BTK (0.40) BTK
SCHEMBL1393056 0.85 CDK4 (0.43) BTK
SCHEMBL14926244 0.84 BTK (0.44) BTK
SCHEMBL1392784 0.82 BTK (0.38) BTK
SCHEMBL708026 0.81 BTK (0.52) BTK
SCHEMBL17550895 0.81 BTK (0.37) BTK
SCHEMBL1394229 0.80 BTK (0.49) BTK
SCHEMBL24374787 0.80 BTK (0.53) BTK
SCHEMBL1393033 0.80 CDK4 (0.48) BTK
SCHEMBL709576 0.80 BTK (0.48) BTKSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 — — EP disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 — — US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 — — US disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 — — WO disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 — — US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 — — US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 — — US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 — — US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 — — US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 — — US 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-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN AKR1C3 3277/4885F10 928/4885NPC1 4592/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN AKR1C3 3177/4885F10 976/4885NPC1 4638/4885

“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.

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