SCHEMBL939418

SCHEMBL939418

CN(C)Cc1cncc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
TLR7 Q9NYK1 11/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
G6PD P11413 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL18474594 0.79 CHRNB2 (0.47) CHRNB2CHRNA4ALDH1A1HRH3TSHR
SCHEMBL23131753 0.77 CHRNB2 (0.48) CHRNB2CHRNA4ALDH1A1HRH3TSHR
SCHEMBL10174182 0.77 CHRNB2 (0.48) CHRNB2CHRNA4TLR7CYP11B1CYP11B2
SCHEMBL6468613 0.76
SCHEMBL29253723 0.75 CHRNB2 (0.47) CHRNB2CHRNA4ALDH1A1HRH3TSHR
SCHEMBL22807066 0.75 CHRNB2 (0.47) CHRNB2CHRNA4CYP11B1CYP11B2ALDH1A1
SCHEMBL3723569 0.75 CHRNB2 (0.47) CHRNB2CHRNA4ALDH1A1HRH3TSHR
SCHEMBL12240469 0.75 CHRNB2 (0.47) CHRNB2CHRNA4ALDH1A1HRH3TSHR
SCHEMBL11987865 0.75 CHRNB2 (0.47) CHRNB2CHRNA4ALDH1A1HRH3TSHR
SCHEMBL14614188 0.75 ALDH1A1 (0.44) CHRNB2CHRNA4ALDH1A1HRH3TSHR

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
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 CHRNB2 4880/4885CHRNA4 4852/4885TLR7 1478/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CHRNB2 4880/4885CHRNA4 4852/4885TLR7 1478/4885

“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.