SCHEMBL4080694

SCHEMBL4080694

Cc1c(NC(=O)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cccc1-c1cc(NC(=O)NCCCN(C)C)c2nccn2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.49
HDAC6 Q9UBN7 2/20 0.38
ACKR3 P25106 1/20 0.37
RAD52 P43351 2/20 0.37
PAX8 Q06710 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LCK P06239 1/20 0.37
UBE2N P61088 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRAF P15056 2/20 0.36
RAF1 P04049 1/20 0.36
IGF1R P08069 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35

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
SCHEMBL4085015 0.94 BTK (0.49) BTKHDAC6ACKR3RAD52PAX8
SCHEMBL4081138 0.92 BTK (0.58) BTKHDAC6
SCHEMBL4090411 0.85 BTK (0.49) BTKACKR3RAD52MEN1KMT2A
SCHEMBL4086332 0.84 BTK (0.48) BTKHDAC6PDCD1CD274
SCHEMBL4085005 0.83 BTK (0.61) BTKHDAC6
SCHEMBL4095924 0.83 BTK (0.49) BTKHDAC6PDCD1CD274
SCHEMBL4095342 0.82 BTK (0.39) BTKHDAC6RAD52MEN1KMT2A
SCHEMBL4080285 0.82 BTK (0.61) BTKHDAC6
SCHEMBL4095334 0.81 BTK (0.38) BTKHDAC6RAD52MEN1KMT2A
SCHEMBL4085985 0.80 BTK (0.49) BTKACKR3RAD52LCKUBE2N

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 1/4885HDAC6 1266/4885ACKR3 1131/4885

“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.