SCHEMBL1724401

SCHEMBL1724401

CCNCc1ccc(N(C(=O)OC(C)(C)C)c2cc(Br)cn(C)c2=O)nc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.33
BRD4 O60885 1/20 0.31
P2RX3 P56373 1/20 0.30

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
SCHEMBL17157278 0.90 P4HTM (0.36) P2RX3
SCHEMBL1726757 0.84 BRD4 (0.33) BRD4
SCHEMBL1725105 0.82 MCHR1 (0.36) MCHR1
SCHEMBL15764561 0.82 P4HTM (0.37)
SCHEMBL18866536 0.79 P4HTM (0.36) BRD4P2RX3
SCHEMBL3055050 0.75 SMN1; SMN2 (0.41)
SCHEMBL27825590 0.73 MCHR1 (0.32) MCHR1
SCHEMBL16650495 0.71 BRD4 (0.38) BRD4
SCHEMBL24556399 0.70 BRD4 (0.36) BRD4
SCHEMBL19869650 0.70 BRD4 (0.40) BRD4

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 9 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
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
EP-2403846-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-01-11 EP 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-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 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 (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-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN MCHR1 3984/4885BRD4 385/4885P2RX3 513/4885

“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.