SCHEMBL15340930

SCHEMBL15340930

CC(C)c1ccnc(-c2cccc(C#N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.51
GRM5 P41594 6/20 0.51
IDO1 P14902 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
ASIC3 Q9UHC3 1/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOB P27338 1/20 0.43
CYP2C9 P11712 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42

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
SCHEMBL9792939 0.82 CLK4 (0.62) CLK4GRM5IDO1CYP1A2CYP2C19
SCHEMBL15344138 0.80 CLK4 (0.56) CLK4GRM5IDO1CYP1A2CYP2C19
SCHEMBL4903567 0.80 CLK4 (0.52) CLK4GRM5IDO1CYP1A2CYP2C19
SCHEMBL10022357 0.79 KDM1A (0.53) CLK4GRM5IDO1CTSSCTSK
SCHEMBL8240673 0.79 CLK4 (0.49) CLK4IDO1CTSSCTSKMAOB
SCHEMBL17234420 0.78 ATP1A1 (0.45) ASIC3PSEN1PSEN2APH1BNCSTN
SCHEMBL25900264 0.78 GRM5 (0.50) CLK4GRM5IDO1CYP1A2CYP2C19
SCHEMBL14054103 0.77 ASIC3 (0.53) ASIC3ALDH1A1
SCHEMBL10389736 0.77 CLK4 (0.59) CLK4GRM5IDO1CYP1A2CYP2C19
SCHEMBL21141650 0.77 CLK4 (0.56) CLK4GRM5IDO1CYP1A2CYP2C19

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-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 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 (5 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CLK4 4692/4885GRM5 2594/4885IDO1 1405/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CLK4 4532/4885GRM5 3572/4885IDO1 3864/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CLK4 4692/4885GRM5 2594/4885IDO1 1405/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CLK4 4692/4885GRM5 2594/4885IDO1 1405/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CLK4 4532/4885GRM5 3572/4885IDO1 3864/4885

“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.