SCHEMBL1958985

SCHEMBL1958985

c1ccc(-c2nc3ccn(Cc4cccc5ccccc45)cc-3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
KDM4C Q9H3R0 2/20 0.45
HSP90AB1 P08238 3/20 0.40
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
KDM4A O75164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CES2 O00748 1/20 0.38
MCL1 Q07820 1/20 0.37
BAD Q92934 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PHF8 Q9UPP1 1/20 0.37

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
SCHEMBL1958365 0.82 L3MBTL1 (0.51) POLBKDM4CFLT1KDRALDH1A1
SCHEMBL1960587 0.82 KDM4A (0.45) KDM4CFLT1KDRKDM4AALDH1A1
SCHEMBL1961064 0.82 CYP11B1 (0.47) POLBKDM4CFLT1KDRKDM4A
SCHEMBL1958118 0.82 KDR (0.40) POLBFLT1KDRALDH1A1LMNA
SCHEMBL1411948 0.79 HPGDS (0.54) POLBKDM4CALDH1A1LMNATSHR
SCHEMBL1959002 0.78 CYP19A1 (0.51) FLT1KDRALDH1A1TSHRMAPT
SCHEMBL1960065 0.78 MEN1 (0.49) KDM4CKDM4AALDH1A1LMNATP53
SCHEMBL1961795 0.78 KCNH2 (0.42) POLBFLT1KDRALDH1A1LMNA
SCHEMBL1961068 0.77 CYP11B1 (0.50) HSP90AB1FLT1KDRALDH1A1LMNA
SCHEMBL1961430 0.76 CYP11B1 (0.43) FLT1KDRALDH1A1TP53HPGD

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 POLB 694/4885KDM4C 365/4885HSP90AB1 3294/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE POLB 348/4885KDM4C 797/4885HSP90AB1 3237/4885

“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.