SCHEMBL1962574

SCHEMBL1962574

N#Cc1cccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP11B1 P15538 2/20 0.51
CYP19A1 P11511 1/20 0.51
CYP11B2 P19099 1/20 0.51
ADORA2A P29274 3/20 0.44
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 4/20 0.43
CLK4 Q9HAZ1 4/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 2/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
HPGDS O60760 1/20 0.42
DRD4 P21917 2/20 0.42

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
SCHEMBL1959717 0.86 CYP19A1 (0.52) CYP11B1CYP19A1CYP11B2HPGDSALDH1A3
SCHEMBL1411948 0.83 HPGDS (0.54) ALDH1A1CYP11B1CYP19A1CYP11B2ADORA2A
SCHEMBL1962139 0.81 CYP11B1 (0.48) CYP11B1CYP19A1CYP11B2CYP2C19LMNA
SCHEMBL1960311 0.81 MAPT (0.48) ALDH1A1CYP11B1CYP11B2CYP2C19CYP3A4
SCHEMBL1958815 0.81 ALDH1A1 (0.49) ALDH1A1CYP11B1CYP11B2CYP2C19LMNA
SCHEMBL1961113 0.81 NPC1 (0.49) ALDH1A1CYP11B1CYP11B2CYP2C19CYP3A4
SCHEMBL1959782 0.78 CYP19A1 (0.50) CYP11B1CYP19A1CYP11B2CYP1A2CYP2C19
SCHEMBL1958699 0.78 NR1H2 (0.48) ALDH1A1CYP1A2CYP2C19CLK4LMNA
SCHEMBL1958148 0.78 KDM4C (0.50) ALDH1A1CYP1A2CYP2C19LMNACYP3A4
SCHEMBL1961068 0.77 CYP11B1 (0.50) ALDH1A1CYP11B1CYP19A1CYP11B2ADORA2A

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 10 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
CN-1328279-C virus inhibitor LEUVEN K U RES & DEV (BE) 2007-07-25 CN disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
CN-1678612-A virus inhibitor LEUVEN K U RES & DEV (BE) 2005-10-05 CN 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 ALDH1A1 2022/4885CYP11B1 1458/4885CYP19A1 3722/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE ALDH1A1 2105/4885CYP11B1 783/4885CYP19A1 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.