SCHEMBL1962296

SCHEMBL1962296

Cc1ccccc1-c1nc2ccn(Cc3ccc(Br)cc3)cc-2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
KCNH2 Q12809 3/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 1/20 0.38
MAPT P10636 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
TYR P14679 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
SCHEMBL2345290 0.87 AHR (0.42) GALR3NR2F2KCNH2CYP11B1CYP11B2
SCHEMBL1961438 0.86 CYP11B1 (0.39) GALR3NR2F2KCNH2CYP11B1CYP11B2
SCHEMBL1958380 0.85 KCNH2 (0.50) GALR3NR2F2KCNH2CYP11B1CYP11B2
SCHEMBL1961782 0.84 CYP11B1 (0.43) KCNH2CYP11B1CYP11B2CYP19A1TYR
SCHEMBL1962576 0.81 NR1H3 (0.47) GALR3NR2F2CYP11B1CYP11B2CYP19A1
SCHEMBL1958961 0.81 KDM4E (0.44) CYP11B1CYP11B2CYP19A1SMN1; SMN2L3MBTL1
SCHEMBL13463459 0.80 KCNH2 (0.41) GALR3NR2F2KCNH2CYP11B1CYP11B2
SCHEMBL13481771 0.79 KCNH2 (0.37) KCNH2CYP11B1CYP11B2CYP19A1TYR
SCHEMBL1958857 0.79 AHR (0.42) GALR3NR2F2CYP11B1CYP11B2CYP19A1
SCHEMBL13463843 0.78 KCNH2 (0.43) KCNH2CYP11B1CYP11B2NPC1RAB9A

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-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
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 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 GALR3 4543/4885NR2F2 2755/4885KCNH2 2470/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE GALR3 4330/4885NR2F2 3112/4885KCNH2 2142/4885

“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.