SCHEMBL1961067

SCHEMBL1961067

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
GRIN2B Q13224 2/20 0.36
LMNA P02545 1/20 0.35
PIN1 Q13526 1/20 0.35
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33

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 0.87 TP53 (0.39) CLPPCYP1A2CYP2D6GRIN2BLMNA
SCHEMBL1958369 0.86 L3MBTL1 (0.39) CLPPCYP1A2CYP2D6GRIN2BLMNA
SCHEMBL1958120 0.86 GRIN2B (0.36) CYP1A2CYP2D6GRIN2BLMNAKMT2A
SCHEMBL1960066 0.85 MEN1 (0.41) CYP2D6LMNATNKSTNKS2KMT2A
SCHEMBL1958077 0.85 GAA (0.43) CLPPLMNAPTGS1PTGS2KMT2A
SCHEMBL1959003 0.84 CYP19A1 (0.37) CYP1A2CYP2D6GRIN2BTNKSPARP1
SCHEMBL1411950 0.84 CXCR2 (0.40) CLPPCYP1A2CYP2D6GRIN2BDRD2
SCHEMBL1959645 0.83 NPC1 (0.40) CLPPCYP1A2LMNAPIN1TNKS
SCHEMBL1961796 0.83 KDM4E (0.39) CYP1A2CYP2D6GRIN2BKMT2AMEN1
SCHEMBL1960977 0.82 ADORA2B (0.39) CYP1A2LMNAPIN1KMT2AMEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US claimed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP claimed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US claimed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO claimed
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
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 CLPP 2023/4885CYP1A2 948/4885CYP2D6 782/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CLPP 1682/4885CYP1A2 964/4885CYP2D6 748/4885

“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.