SCHEMBL4090411

SCHEMBL4090411

Cc1c(NC(=O)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cccc1-c1cc(NC(=O)NCCCN(C)C)c2nccn2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.49
ACKR3 P25106 1/20 0.39
SYK P43405 1/20 0.38
RAF1 P04049 5/20 0.38
BRAF P15056 3/20 0.38
RAD52 P43351 1/20 0.38
UBE2N P61088 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDR P35968 2/20 0.36
TEK Q02763 2/20 0.36
LCK P06239 1/20 0.35
CACNA1H O95180 2/20 0.34
CACNA1B Q00975 2/20 0.34

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
SCHEMBL4085985 0.94 BTK (0.49) BTKACKR3SYKRAF1BRAF
SCHEMBL4090993 0.93 BTK (0.52) BTKACKR3SYKRAF1BRAF
SCHEMBL4086749 0.92 BTK (0.58) BTKACKR3
SCHEMBL4091738 0.90 BTK (0.48) BTKACKR3SYKL3MBTL1CACNA1H
SCHEMBL13771500 0.89 BTK (0.47) BTKACKR3SYKRAD52UBE2N
SCHEMBL4090046 0.89 BTK (0.53) BTKSYKRAF1BRAF
SCHEMBL4081255 0.86 BTK (0.55) BTKSYKRAF1BRAF
SCHEMBL4080694 0.85 BTK (0.49) BTKACKR3RAF1BRAFRAD52
SCHEMBL4086768 0.83 BTK (0.61) BTKSYKMEN1KMT2A
SCHEMBL4090127 0.83 BTK (0.54) BTKSYKRAF1BRAF

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 1/4885ACKR3 1131/4885SYK 2/4885

“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.