SCHEMBL1962575

SCHEMBL1962575

N#Cc1cccc(CN2C=Cc3[nH]c(-c4ccccc4)nc3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CLPP Q16740 4/20 0.43
DRD4 P21917 3/20 0.39
PIN1 Q13526 1/20 0.39
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
CFTR P13569 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CXCR2 P25025 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
FAAH O00519 1/20 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
SCHEMBL1959719 0.88 CXCR2 (0.43) ALDH1A1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL1411950 0.85 CXCR2 (0.40) ALDH1A1CLPPDRD4DRD3DRD2
SCHEMBL1960312 0.84 TP53 (0.42) ALDH1A1CLPPDRD4PIN1DRD3
SCHEMBL1961115 0.84 CLPP (0.41) ALDH1A1CLPPCYP1A2CYP2D6ADORA2A
SCHEMBL1958816 0.84 SIGMAR1 (0.42) ALDH1A1CLPPDRD4PIN1DRD2
SCHEMBL1962141 0.84 SMN1; SMN2 (0.39) ALDH1A1CLPPCFTRCYP19A1CYP11B1
SCHEMBL1959784 0.81 KMT2A (0.40) CLPPCYP19A1
SCHEMBL1958701 0.81 SIGMAR1 (0.44) ALDH1A1DRD4PIN1DRD3DRD2
SCHEMBL1958150 0.81 CXCR2 (0.43) ALDH1A1PIN1CXCR2ADORA2A
SCHEMBL1959003 0.81 CYP19A1 (0.37) ALDH1A1CYP19A1CYP1A2CYP2D6SLC6A2

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 ALDH1A1 2022/4885CLPP 2023/4885DRD4 4499/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE ALDH1A1 2105/4885CLPP 1682/4885DRD4 3771/4885

“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.