SCHEMBL939754

SCHEMBL939754

CN(CCO)Cc1ccnc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
HSD17B10 Q99714 1/20 0.45
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
LTA4H P09960 1/20 0.38
BRD4 O60885 1/20 0.38
PARP1 P09874 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
RECQL P46063 1/20 0.37
ROCK1 Q13464 1/20 0.36
ATM Q13315 1/20 0.36
KCNQ2 O43526 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL31638018 0.81 HSD17B10 (0.45) HSD17B10PDGFRBKDRLTA4HBRD4
SCHEMBL2235240 0.81 NOS3 (0.51) HSD17B10PDGFRBKDRLTA4HBRD4
SCHEMBL2235235 0.81 HSD17B10 (0.45) HSD17B10PDGFRBKDRLTA4HBRD4
SCHEMBL937646 0.79 LOXL2 (0.57) LOXL2PARP1KCNQ2CYP3A4ALOX15
SCHEMBL9827756 0.75 KDM4E (0.50) HSD17B10CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL12993055 0.73 TAAR1 (0.54) HTTKDM4E
SCHEMBL1211358 0.73 LOXL2 (0.59) LOXL2RECQLKCNQ2CYP3A4ALOX15
SCHEMBL116309 0.73
SCHEMBL1211655 0.73 LOXL2 (0.53) LOXL2RECQLKCNQ2CYP3A4ALOX15
SCHEMBL17030669 0.73 KDM4E (0.48) HSD17B10CYP2D6CYP2C9CYP2C19CYP3A4

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
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
EP-2475657-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-07-18 EP disclosed
CN-102471327-A Inhibitors of flaviviridae viruses GILEAD SCIENCES INC 2012-05-23 CN disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 LOXL2 4210/4885HSD17B10 277/4885PDGFRB 2040/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 LOXL2 4210/4885HSD17B10 277/4885PDGFRB 2040/4885

“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.