SCHEMBL1961064

SCHEMBL1961064

Cc1ccccc1Cn1ccc2nc(-c3ccccc3)nc-2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38

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
SCHEMBL1958118 0.83 KDR (0.40) CYP11B1CYP11B2SMN1; SMN2LMNAHTT
SCHEMBL1960587 0.83 KDM4A (0.45) FLT1KDRNPC1RAB9AALDH1A1
SCHEMBL1958365 0.83 L3MBTL1 (0.51) SMN1; SMN2LMNAHTTPOLBFLT1
SCHEMBL1960065 0.82 MEN1 (0.49) SMN1; SMN2LMNAHTTTSHRNPSR1
SCHEMBL1958985 0.82 POLB (0.50) LMNAHTTPOLBFLT1KDR
SCHEMBL1958075 0.81 KCNH2 (0.53) CYP11B1CYP11B2SMN1; SMN2LMNAHTT
SCHEMBL1411948 0.80 HPGDS (0.54) CYP11B1CYP11B2SMN1; SMN2LMNAPOLB
SCHEMBL1959643 0.80 SMN1; SMN2 (0.52) CYP11B1CYP11B2SMN1; SMN2LMNAPOLB
SCHEMBL1961795 0.80 KCNH2 (0.42) LMNAPOLBFLT1KDRALDH1A1
SCHEMBL1959002 0.80 CYP19A1 (0.51) CYP11B1CYP11B2SMN1; SMN2FLT1KDR

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 CYP11B1 1458/4885CYP11B2 1903/4885SMN1; SMN2 3179/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CYP11B1 783/4885CYP11B2 1113/4885SMN1; SMN2 3260/4885

“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.