SCHEMBL15340955

SCHEMBL15340955

CC(C)c1cccc(-c2cnn(Cc3ccccc3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
CREBBP Q92793 9/20 0.52
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PI4KA P42356 1/20 0.49
PIK3CG P48736 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
KCNH2 Q12809 1/20 0.46
KDM5B Q9UGL1 1/20 0.45
SCD O00767 1/20 0.45
SCD5 Q86SK9 1/20 0.45
ALK Q9UM73 1/20 0.44
COMT P21964 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL15340952 0.82 PRMT5 (0.49) L3MBTL1KCNH2KDM5B
SCHEMBL15344194 0.82 L3MBTL1 (0.71) L3MBTL1CREBBPPIK3CDPIK3CAPIK3CB
SCHEMBL10141551 0.81 L3MBTL1 (0.59) L3MBTL1CREBBPADORA2AADORA1KDM5B
SCHEMBL31489437 0.79 L3MBTL1 (0.71) L3MBTL1CREBBPPIK3CDPIK3CAPIK3CB
SCHEMBL983078 0.79 L3MBTL1 (0.71) L3MBTL1CREBBPPIK3CDPIK3CAPIK3CB
SCHEMBL15336474 0.77 L3MBTL1 (0.46) L3MBTL1CREBBPPIK3CDPIK3CAPIK3CB
SCHEMBL19531843 0.75 L3MBTL1 (0.57) L3MBTL1CREBBPPIK3CDPIK3CAPIK3CB
SCHEMBL14870415 0.75 PFKFB3 (0.57)
SCHEMBL10094327 0.75 L3MBTL1 (0.60) L3MBTL1CREBBPPIK3CDADORA2AADORA1
SCHEMBL19537482 0.74 L3MBTL1 (0.69) L3MBTL1CREBBPPIK3CDPIK3CAPIK3CB

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 8 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-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-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 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 L3MBTL1 4239/4885CREBBP 401/4885PIK3CD 759/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 L3MBTL1 3739/4885CREBBP 942/4885PIK3CD 3591/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 L3MBTL1 4239/4885CREBBP 401/4885PIK3CD 759/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 L3MBTL1 4239/4885CREBBP 401/4885PIK3CD 759/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 L3MBTL1 3739/4885CREBBP 942/4885PIK3CD 3591/4885

“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.