SCHEMBL4091723

SCHEMBL4091723

CNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(OC(F)(F)F)cc3)c2C)cn2ccnc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.52
TRPV1 Q8NER1 1/20 0.43
ABL1 P00519 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TMIGD3 P0DMS9 1/20 0.38
IGF2BP2 Q9Y6M1 1/20 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
SCHEMBL4090496 0.90 BTK (0.52) BTKNPC1RAB9AHDAC6MAPT
SCHEMBL4091778 0.88 BTK (0.51) BTKNPC1RAB9AHDAC6MAPT
SCHEMBL4091659 0.88 BTK (0.51) BTKNPC1RAB9AHDAC6MAPT
SCHEMBL4081148 0.87 BTK (0.55) BTKHDAC6MAPTNPSR1TDP1
SCHEMBL2999693 0.87 BTK (0.65) BTKNPC1RAB9A
SCHEMBL13771354 0.87 BTK (0.54) BTKHDAC6MAPT
SCHEMBL13821341 0.87 BTK (0.54) BTKHDAC6MAPT
SCHEMBL4095817 0.86 BTK (0.58) BTKHDAC6
SCHEMBL4080570 0.85 BTK (0.52) BTKHDAC6
SCHEMBL4087271 0.84 BTK (0.55) BTKHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US claimed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN BTK 1/4885TRPV1 3445/4885ABL1 17/4885

“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.