SCHEMBL1961885

SCHEMBL1961885

Brc1ccc(Cn2ccc3nc(Cc4ccccc4)nc-3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP19A1 P11511 2/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
LTA4H P09960 1/20 0.39
DRD4 P21917 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDR P35968 2/20 0.37
GALR3 O60755 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
NPY1R P25929 1/20 0.36
STAT3 P40763 1/20 0.36
NPY2R P49146 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
FLT1 P17948 1/20 0.36
CYP2D6 P10635 4/20 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
SCHEMBL1959834 0.88 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1MAPTTP53
SCHEMBL1959746 0.86 HMOX1 (0.39) CYP11B1CYP11B2CYP19A1MAPTSIGMAR1
SCHEMBL1962391 0.86 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1MAPTSIGMAR1
SCHEMBL1962576 0.83 NR1H3 (0.47) CYP11B1CYP11B2CYP19A1MAPTKDR
SCHEMBL1962300 0.82 NPC1 (0.41) CYP11B1CYP11B2CYP19A1LTA4HKDR
SCHEMBL1958370 0.82 RAB9A (0.38) CYP11B1CYP11B2CYP19A1MAPTKDR
SCHEMBL1960357 0.82 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1KDRGALR3
SCHEMBL2345290 0.78 AHR (0.42) CYP11B1CYP11B2CYP19A1MAPTTP53
SCHEMBL1959642 0.78 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1MAPTKDR
SCHEMBL1959638 0.78 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1MAPTKDR

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
EP-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
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

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 CYP11B1 1458/4885CYP11B2 1903/4885CYP19A1 3722/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CYP11B1 783/4885CYP11B2 1113/4885CYP19A1 2311/4885

“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.