SCHEMBL1961657

SCHEMBL1961657

Fc1cccc(F)c1-c1nc2ccn(Cc3ccccc3)cc-2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
HPGDS O60760 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TBXAS1 P24557 1/20 0.37
QPCT Q16769 1/20 0.37
CYP4Z1 Q86W10 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
CYP2C19 P33261 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4C Q9H3R0 3/20 0.36

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
SCHEMBL1963287 0.90 RAB9A (0.42) KCNH2POLBMAPTCYP19A1CYP11B1
SCHEMBL1961659 0.86 LTA4H (0.36) KCNH2POLBKDM5AKDM5BLMNA
SCHEMBL1959764 0.86 KCNH2 (0.54) KCNH2HPGDSCYP3A4CYP2D6CYP1A2
SCHEMBL1958831 0.85 KCNH2 (0.40) KCNH2POLBKDM5BHRH4KLKB1
SCHEMBL1960665 0.84 SMN1; SMN2 (0.44) KCNH2POLBPHF8LMNANPC1
SCHEMBL1959935 0.81 KCNH2 (0.39) KCNH2CYP19A1KDM5BHRH4
SCHEMBL1411948 0.80 HPGDS (0.54) HPGDSCYP3A4CYP2D6CYP1A2POLB
SCHEMBL1959836 0.79 KCNH2 (0.50) KCNH2HPGDSCYP3A4CYP2D6POLB
SCHEMBL1960353 0.79 KDM4E (0.38) KCNH2CYP19A1KDM4CKDM5AKDM5B
SCHEMBL13481451 0.78 KCNH2 (0.43) KCNH2HPGDSCYP19A1CYP11B1CYP11B2

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 14 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
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 KCNH2 2470/4885HPGDS 2628/4885CYP3A4 112/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE KCNH2 2142/4885HPGDS 2482/4885CYP3A4 211/4885

“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.