SCHEMBL1480879

SCHEMBL1480879

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.37
GPR183 P32249 1/20 0.36
TLR8 Q9NR97 1/20 0.36
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
KDM4E B2RXH2 4/20 0.34
APP P05067 2/20 0.34
PAX8 Q06710 1/20 0.34
GNRHR P30968 2/20 0.33
ADORA2A P29274 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
EGFR P00533 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL1480877 1.00 ERBB2 (0.37) ERBB2GPR183TLR8RAB9ANPC1
SCHEMBL1480865 0.91 ERBB2 (0.46) ERBB2GPR183TLR8
SCHEMBL1480861 0.91 ERBB2 (0.46) ERBB2GPR183TLR8
SCHEMBL1481172 0.87 HSP90AA1 (0.44) TLR8RAB9ANPC1KDM4EGNRHR
SCHEMBL1481170 0.87 HSP90AA1 (0.44) TLR8RAB9ANPC1KDM4EGNRHR
SCHEMBL1480499 0.85 ALDH1A1 (0.44) TLR8RAB9ANPC1KDM4EAPP
SCHEMBL1481442 0.85 NPC1 (0.43) TLR8RAB9ANPC1KDM4EALDH1A1
SCHEMBL6532905 0.85 ALDH1A1 (0.44) TLR8RAB9ANPC1KDM4EAPP
SCHEMBL6532903 0.85 ALDH1A1 (0.44) TLR8RAB9ANPC1KDM4EAPP
SCHEMBL1481444 0.85 NPC1 (0.43) TLR8RAB9ANPC1KDM4EALDH1A1

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 645/4885GPR183 2608/4885TLR8 2695/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ ERBB2 645/4885GPR183 2608/4885TLR8 2695/4885

“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.