SCHEMBL15340908

SCHEMBL15340908

CC(C)c1ccnc(-c2cnc(N3CCN(C)CC3)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.44
TNKS O95271 2/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
HTR3A P46098 2/20 0.40
ACHE P22303 1/20 0.39
OGA O60502 1/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL15340913 0.85 PIK3CA (0.49) SYK
SCHEMBL15340911 0.84 ACVR1B (0.53) HRH4TNKSTLR9TLR8TLR7
SCHEMBL15344113 0.83 CCR1 (0.52) HRH4TNKSHTR3AACVR1BTGFBR1
SCHEMBL11402241 0.77 HRH4 (0.47) HRH4TNKSTLR9TLR8TLR7
SCHEMBL10203431 0.75 HRH4 (0.56) HRH4TLR9TLR8TLR7HTR3A
SCHEMBL11399098 0.73 CCR1 (0.48) TGFBR1ALDH1A1ALOX15SYK
SCHEMBL15340892 0.73 PIM1 (0.39) TGFBR1ALDH1A1ALOX15SYK
SCHEMBL13467139 0.73 PIM1 (0.50) ACVR1BTGFBR1
SCHEMBL15341915 0.71 FTO (0.39) TGFBR1ALDH1A1
SCHEMBL25138076 0.70 HTR3A (0.48) HRH4TNKSHTR3AALDH1A1CYP1A2

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 HRH4 2403/4885TNKS 2427/4885TLR9 2463/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 HRH4 3910/4885TNKS 3312/4885TLR9 4139/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 HRH4 2403/4885TNKS 2427/4885TLR9 2463/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 HRH4 2403/4885TNKS 2427/4885TLR9 2463/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 HRH4 3910/4885TNKS 3312/4885TLR9 4139/4885

“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.