SCHEMBL1961796

SCHEMBL1961796

FC(F)(F)c1ccccc1CN1C=Cc2[nH]c(-c3ccccc3)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
ATM Q13315 2/20 0.39
PRMT5 O14744 1/20 0.37
KMT2A Q03164 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GRIN2B Q13224 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KLK7 P49862 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
SCHEMBL1960588 0.86 TP53 (0.39) KDM4EALDH1A1PRMT5KMT2AADORA2A
SCHEMBL1961067 0.83 CLPP (0.37) KMT2AADORA2AADORA2BADORA1NPSR1
SCHEMBL1958120 0.83 GRIN2B (0.36) KDM4EALDH1A1ATMKMT2ATDP1
SCHEMBL1958369 0.83 L3MBTL1 (0.39) KDM4EALDH1A1ATMADORA2AADORA2B
SCHEMBL1959705 0.82 CXCR2 (0.43) NPSR1GAAPOLB
SCHEMBL1959003 0.81 CYP19A1 (0.37) ALDH1A1KMT2AHPGDCYP1A2CYP2D6
SCHEMBL1411950 0.81 CXCR2 (0.40) KDM4EALDH1A1GAAHPGDCYP1A2
SCHEMBL1960066 0.80 MEN1 (0.41) KDM4EALDH1A1KMT2AADORA2AADORA2B
SCHEMBL1958150 0.80 CXCR2 (0.43) KDM4EALDH1A1ADORA2AADORA2BADORA1
SCHEMBL1958047 0.79 GRIN2B (0.42) KDM4EALDH1A1KMT2AADORA2BPOLB

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 KDM4E 519/4885ALDH1A1 2022/4885ATM 4669/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE KDM4E 782/4885ALDH1A1 2105/4885ATM 4699/4885

“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.