SCHEMBL2343162

SCHEMBL2343162

Brc1ccc(CN2C=Cc3[nH]c(-c4cccnc4)nc3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
LDHA P00338 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP19A1 P11511 1/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
NPY5R Q15761 2/20 0.34
LMNA P02545 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
KMT2A Q03164 1/20 0.34
USP8 P40818 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1961423 0.87 GCGR (0.38) KDM4ECYP19A1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1959852 0.85 HRH1 (0.38) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL1960595 0.84 ADRA2C (0.40) KDM4ELDHAEPHX2ALDH1A1HPGD
SCHEMBL1959224 0.83 CLPP (0.31)
SCHEMBL1958997 0.83 PTGES (0.39) KDM4EALDH1A1HPGD
SCHEMBL1961668 0.82 AURKA (0.35) MAPTALDH1A1SMN1; SMN2MAPK1AURKA
SCHEMBL1959832 0.82 ACP1 (0.35) MAPTLMNACYP11B1CYP11B2
SCHEMBL1959009 0.82 PTGES (0.39) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL2344753 0.82 CHRNB4 (0.31)
SCHEMBL1958858 0.81 GAA (0.34) KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 KDM4E 519/4885LDHA 2315/4885EPHX2 3287/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE KDM4E 782/4885LDHA 2048/4885EPHX2 2056/4885

“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.