SCHEMBL937646

SCHEMBL937646

CN(C)Cc1ccnc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.57
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
TSHR P16473 3/20 0.41
KCNQ2 O43526 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KCNH3 Q9ULD8 5/20 0.39
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PARP1 P09874 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL1211655 0.81 LOXL2 (0.53) LOXL2TSHRKCNQ2CYP3A4ALOX15
SCHEMBL939754 0.79 LOXL2 (0.47) LOXL2TSHRKCNQ2CYP3A4ALOX15
SCHEMBL14613356 0.78 UHRF1 (0.46) CHRNB2CHRNA4TSHRKCNQ2ALDH1A1
SCHEMBL6468413 0.77
SCHEMBL29893902 0.77
SCHEMBL12553823 0.77
SCHEMBL501592 0.77
SCHEMBL23365986 0.76 TYMS (0.45) CHRNB2CHRNA4TSHRALDH1A1HRH3
SCHEMBL3189367 0.76 NOS1 (0.62) CHRNB2CHRNA4TSHRALDH1A1HRH3
SCHEMBL29944477 0.76 RECQL (0.57) LOXL2CHRNB2CHRNA4TSHRALDH1A1

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 15 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
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
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 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-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
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
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 LOXL2 4210/4885CHRNB2 4880/4885CHRNA4 4852/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 LOXL2 4210/4885CHRNB2 4880/4885CHRNA4 4852/4885

“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.