SCHEMBL1480865

SCHEMBL1480865

CCn1cc(-c2ccc(C(F)(F)F)cc2)nc1C=Cc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.46
TLR8 Q9NR97 1/20 0.46
P2RY14 Q15391 1/20 0.39
HDAC1 Q13547 2/20 0.38
AHR P35869 2/20 0.38
GPR183 P32249 1/20 0.36

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
SCHEMBL1480861 1.00 ERBB2 (0.46) ERBB2TLR8P2RY14HDAC1AHR
SCHEMBL1480877 0.91 ERBB2 (0.37) ERBB2TLR8GPR183
SCHEMBL1480879 0.91 ERBB2 (0.37) ERBB2TLR8GPR183
SCHEMBL1481256 0.87 GFER (0.46) ERBB2TLR8P2RY14HDAC1
SCHEMBL1481259 0.87 GFER (0.46) ERBB2TLR8P2RY14HDAC1
SCHEMBL1480797 0.86 TLR8 (0.49) ERBB2TLR8
SCHEMBL1480800 0.86 TLR8 (0.49) ERBB2TLR8
SCHEMBL1481444 0.85 NPC1 (0.43) TLR8HDAC1
SCHEMBL1480504 0.85 ALDH1A1 (0.44) TLR8
SCHEMBL6532905 0.85 ALDH1A1 (0.44) TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 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 (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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ ERBB2 645/4885TLR8 2695/4885P2RY14 1825/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ ERBB2 645/4885TLR8 2695/4885P2RY14 1825/4885

“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.