SCHEMBL1961795

SCHEMBL1961795

FC(F)(F)c1ccccc1Cn1ccc2nc(-c3ccccc3)nc-2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
FLT1 P17948 2/20 0.39
KDR P35968 2/20 0.39
CYP2C9 P11712 1/20 0.39
EPHX2 P34913 1/20 0.39
DPP4 P27487 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 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
SCHEMBL1960587 0.82 KDM4A (0.45) KCNH2ALDH1A1ATMFLT1KDR
SCHEMBL1958118 0.80 KDR (0.40) KDM4EALDH1A1ATMTDP1FLT1
SCHEMBL1961064 0.80 CYP11B1 (0.47) KDM4EALDH1A1FLT1KDRCYP2C9
SCHEMBL1958365 0.80 L3MBTL1 (0.51) ALDH1A1ATMFLT1KDRLMNA
SCHEMBL1959703 0.79 KCNH2 (0.44) KCNH2DPP4LMNAPOLB
SCHEMBL1958985 0.78 POLB (0.50) ALDH1A1FLT1KDRKMT2ALMNA
Hydrochloric Acid SCHEMBL2344066 0.78 KCNH2 (0.44) KCNH2DPP4LMNAPOLB
SCHEMBL1411948 0.77 HPGDS (0.54) ALDH1A1CYP2C9NR1H2NR1H3KMT2A
SCHEMBL1960065 0.76 MEN1 (0.49) KCNH2KDM4EALDH1A1TDP1CYP2C9
SCHEMBL1959002 0.76 CYP19A1 (0.51) ALDH1A1ATMFLT1KDRDPP4

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 7 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
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

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 2470/4885KDM4E 519/4885ALDH1A1 2022/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE KCNH2 2142/4885KDM4E 782/4885ALDH1A1 2105/4885

“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.