SCHEMBL1961789

SCHEMBL1961789

Fc1cccc(-c2nc3ccn(Cc4ccc(F)cc4F)cc-3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.38
KCNK3 O14649 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP11B1 P15538 1/20 0.36
KCNH2 Q12809 3/20 0.35
IDO1 P14902 1/20 0.34
DPP4 P27487 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
TLR8 Q9NR97 1/20 0.34
CYP19A1 P11511 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PPARG P37231 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
SCHEMBL1960353 0.86 KDM4E (0.38) KDM5BKDM4ESMN1; SMN2KCNH2IDO1
SCHEMBL16628721 0.83 KCNH2 (0.42) KDM5BKDM4ESMN1; SMN2KCNH2CYP19A1
SCHEMBL2343622 0.82 KCNH2 (0.40) KDM5BKDM4ESMN1; SMN2KCNH2IDO1
SCHEMBL1961171 0.80 KDM4E (0.37) KDM5BKDM4ESMN1; SMN2KCNH2IDO1
SCHEMBL13463409 0.79 KCNH2 (0.40) KDM5BKDM4EKCNH2
SCHEMBL1959831 0.79 CYP11B1 (0.42) CYP11B1CYP19A1
SCHEMBL13463859 0.78 KCNH2 (0.47) KDM5BKCNH2
SCHEMBL1960587 0.78 KDM4A (0.45) KDM5BKCNH2
SCHEMBL1961113 0.77 NPC1 (0.49) SMN1; SMN2CYP11B1DPP4
SCHEMBL26087174 0.77 KCNH2 (0.54) KDM4ESMN1; SMN2CYP11B1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM5B 590/4885KCNK3 4191/4885KDM4E 519/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE KDM5B 963/4885KCNK3 3833/4885KDM4E 782/4885

“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.