SCHEMBL2345290

SCHEMBL2345290

Brc1ccc(Cn2ccc3nc(-c4ccccc4Br)nc-3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP19A1 P11511 1/20 0.40
KCNH2 Q12809 3/20 0.38
TYR P14679 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CXCR2 P25025 1/20 0.36
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
GRM2 Q14416 1/20 0.35
TDO2 P48775 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 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
SCHEMBL1961438 0.88 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1KCNH2TYR
SCHEMBL1962296 0.87 GALR3 (0.39) CYP11B1CYP11B2CYP19A1KCNH2TYR
SCHEMBL1958380 0.87 KCNH2 (0.50) CYP11B1CYP11B2CYP19A1KCNH2TYR
SCHEMBL1961782 0.86 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1KCNH2TYR
SCHEMBL1962576 0.83 NR1H3 (0.47) CYP11B1CYP11B2CYP19A1FLT1KDR
SCHEMBL1958961 0.83 KDM4E (0.44) CYP11B1CYP11B2CYP19A1FLT1KDR
SCHEMBL13463459 0.82 KCNH2 (0.41) CYP11B1CYP11B2CYP19A1KCNH2TYR
SCHEMBL13481771 0.81 KCNH2 (0.37) CYP11B1CYP11B2CYP19A1KCNH2TYR
SCHEMBL1961885 0.78 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1FLT1KDR
SCHEMBL1959938 0.78 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1FLT1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 AHR 1770/4885CYP11B1 1458/4885CYP11B2 1903/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE AHR 2196/4885CYP11B1 783/4885CYP11B2 1113/4885

“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.