SCHEMBL14985690

SCHEMBL14985690

Cc1ccc(/C=C/c2ccc(-c3cnc(C)[nH]3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
MAPT P10636 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 2/20 0.41
SMPD3 Q9NY59 1/20 0.41
NFE2L2 Q16236 2/20 0.41
LMNA P02545 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.40
CDK5 Q00535 2/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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
SCHEMBL15747113 0.89 CYP2A6 (0.56) CYP2A6MAPTCYP1A2CYP2C9KDM4E
SCHEMBL17066723 0.87 CYP2A6 (0.55) CYP2A6MAPTCYP1A2CYP2C9CYP3A4
SCHEMBL17066735 0.87 CYP2A6 (0.55) CYP2A6MAPTCYP1A2CYP2C9CYP3A4
SCHEMBL13465055 0.84 CYP2A6 (0.43) CYP2A6KDM4ENFE2L2LMNAMEN1
SCHEMBL24427567 0.74 CYP2A6 (0.53) CYP2A6MAPTKDM4ECYP3A4MEN1
SCHEMBL7904690 0.74 POLB (0.61) CYP2A6MAPTCCNB2CDK1CCNB1
SCHEMBL17533003 0.74 CYP2A6 (0.53) CYP2A6MAPTCYP1A2CYP2C9CYP3A4
SCHEMBL7483325 0.74 CYP2A6 (0.53) CYP2A6MAPTKDM4ECDK5CCNB2
SCHEMBL28559389 0.74 CYP2A6 (0.53) CYP2A6SMPD3MEN1KMT2ACDK5
SCHEMBL9668668 0.74 CYP2A6 (0.53) CYP2A6MAPTMEN1KMT2ATP53

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 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 (4 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2A6 2659/4885MAPT 2923/4885CYP1A2 3826/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2A6 2659/4885MAPT 2923/4885CYP1A2 3826/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2A6 2659/4885MAPT 2923/4885CYP1A2 3826/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2A6 2659/4885MAPT 2923/4885CYP1A2 3826/4885

“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.