SCHEMBL104588

SCHEMBL104588

CNC(=O)Nc1cc(-c2cccc(NC(=O)N3Cc4ccc(F)cc4C3)c2C)cn(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.47
NAMPT P43490 3/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
CALCRL Q16602 3/20 0.39
ROCK2 O75116 1/20 0.39
BRD4 O60885 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
SCHEMBL104029 0.91 BTK (0.51) BTKNAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL103863 0.78 ROCK2 (0.42) BTKNAMPTCALCRLROCK2BRD4
SCHEMBL12602977 0.76 BTK (0.53) BTKBRD4
SCHEMBL171903 0.75 NAMPT (0.44) BTKNAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL3655731 0.74 BTK (0.54) BTKBRD4
SCHEMBL13765448 0.74 BTK (0.46) BTKNAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL103964 0.73 BTK (0.81) BTK
SCHEMBL3655728 0.72 BTK (0.53) BTKBRD4
SCHEMBL12650202 0.72 BTK (0.59) BTK
SCHEMBL106046 0.72 BTK (0.64) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US claimed
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 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-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN BTK 1/4885NAMPT 2279/4885TAS1R3 1569/4885

“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.