SCHEMBL1959003

SCHEMBL1959003

N#Cc1ccccc1CN1C=Cc2[nH]c(-c3ccccc3)nc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
GRIN2B Q13224 6/20 0.35
GRIN1 Q05586 5/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 3/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
TP53 P04637 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CTSB P07858 1/20 0.32

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
SCHEMBL1960588 0.85 TP53 (0.39) GRIN2BCYP1A2CYP2D6ALDH1A1MEN1
SCHEMBL1958120 0.84 GRIN2B (0.36) GRIN2BCYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL1961067 0.84 CLPP (0.37) GRIN2BCYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL1958369 0.84 L3MBTL1 (0.39) GRIN2BCYP1A2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL1959719 0.83 CXCR2 (0.43) CYP19A1CYP1A2ALDH1A1SMN1; SMN2HPGD
SCHEMBL1411950 0.82 CXCR2 (0.40) GRIN2BCYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL1961796 0.81 KDM4E (0.39) GRIN2BCYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL1960066 0.81 MEN1 (0.41) CYP2D6ALDH1A1HPGDMEN1KMT2A
SCHEMBL1962575 0.81 ALDH1A1 (0.44) CYP19A1CYP1A2CYP2D6ALDH1A1SLC6A2
SCHEMBL1960977 0.78 ADORA2B (0.39) CYP1A2ALDH1A1SMN1; SMN2HPGDMEN1

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 CYP19A1 3722/4885GRIN2B 3963/4885GRIN1 3675/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CYP19A1 2311/4885GRIN2B 4592/4885GRIN1 4033/4885

“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.