SCHEMBL1960065

SCHEMBL1960065

COc1ccccc1Cn1ccc2nc(-c3ccccc3)nc-2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.40
LMNA P02545 5/20 0.40
TSHR P16473 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 3/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 2/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CLK4 Q9HAZ1 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL1961064 0.82 CYP11B1 (0.47) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL1958118 0.80 KDR (0.40) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL1960587 0.80 KDM4A (0.45) MEN1KMT2AALDH1A1TP53KDM4A
SCHEMBL1958365 0.80 L3MBTL1 (0.51) L3MBTL1HTTLMNAALDH1A1MAPT
SCHEMBL1961673 0.79 CYP11B1 (0.49) MEN1KMT2AL3MBTL1HTTLMNA
SCHEMBL1958985 0.78 POLB (0.50) KMT2AHTTLMNATSHRALDH1A1
SCHEMBL1411948 0.77 HPGDS (0.54) KMT2AL3MBTL1LMNATSHRCYP1A2
SCHEMBL1961795 0.76 KCNH2 (0.42) MEN1KMT2ALMNACYP2C9ALDH1A1
SCHEMBL1959002 0.76 CYP19A1 (0.51) TSHRALDH1A1MAPK1MAPTALOX15
SCHEMBL1958699 0.76 NR1H2 (0.48) MEN1KMT2ALMNATSHRCYP1A2

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 MEN1 3767/4885KMT2A 2253/4885L3MBTL1 3711/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE MEN1 2547/4885KMT2A 2178/4885L3MBTL1 2897/4885

“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.