SCHEMBL1961792

SCHEMBL1961792

Fc1cccc(-c2nc3c([nH]2)C=CN(Cc2ccc(F)cc2F)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.38
ACP1 P24666 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PIN1 Q13526 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PTGER1 P34995 1/20 0.33
ADORA2B P29275 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TYMP P19971 1/20 0.33
DGAT2 Q96PD7 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
SCHEMBL1960354 0.88 KDM4E (0.36) KCNK3KDM4ESMN1; SMN2ADORA2BMAPK14
SCHEMBL16628722 0.85 GRIN2B (0.36) KCNK3KDM4ESMN1; SMN2MAPK14
SCHEMBL2343626 0.84 KDM4E (0.36) KDM4ESMN1; SMN2ADORA2BMAPK14
SCHEMBL1959832 0.83 ACP1 (0.35) ACP1MGAMGAASIMGAM2
SCHEMBL1961173 0.83 KDM4E (0.35) KDM4ESMN1; SMN2
SCHEMBL1961115 0.81 CLPP (0.41) GAASMN1; SMN2DPP4DPP8DPP9
SCHEMBL1960588 0.81 TP53 (0.39) GAAKDM4EDPP4DPP8DPP9
SCHEMBL1959677 0.77 CYP11B1 (0.38) KDM4ESMN1; SMN2DPP4DPP8DPP9
SCHEMBL1958047 0.76 GRIN2B (0.42) ACP1KDM4EDPP4DPP8DPP9
SCHEMBL1959936 0.74 ADORA2B (0.32) ADORA2BMAPK14

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 KCNK3 4191/4885ACP1 4313/4885MGAM 3637/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE KCNK3 3833/4885ACP1 4434/4885MGAM 2122/4885

“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.