SCHEMBL609228

SCHEMBL609228

Cn1nc(Cl)cc(Nc2cnc(C(F)(F)F)cn2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCDIN3D Q7Z5W3 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.33
▸ MALT1 Q9UDY8 5/20 0.33
▸ HCRTR1 O43613 4/20 0.33
▸ SLC34A1 Q06495 3/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ STIM1 Q13586 1/20 0.31
▸ ORAI1 Q96D31 1/20 0.31

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
SCHEMBL609544 0.77 BTK (0.42) —
SCHEMBL609149 0.75 MKNK1 (0.38) KMT2A
SCHEMBL609133 0.75 BRAF (0.41) KMT2A
SCHEMBL609443 0.72 HCAR3 (0.48) —
SCHEMBL610887 0.72 KAT2B (0.40) MALT1
SCHEMBL10255882 0.72 BTK (0.36) —
SCHEMBL12602957 0.72 HPGD (0.38) —
SCHEMBL608710 0.72 ALDH1A1 (0.43) —
SCHEMBL161634 0.71 MEN1 (0.47) KMT2A
SCHEMBL608423 0.71 IL6 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 — — US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 — — EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 — — US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 — — EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 — — WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 — — 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BCDIN3D 670/4885TRPV1 3626/4885MALT1 109/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BCDIN3D 670/4885TRPV1 3626/4885MALT1 109/4885

“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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