SCHEMBL15340911

SCHEMBL15340911

CC(C)c1ccnc(-c2ccc(N3CCN(C)CC3)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 1/20 0.53
TGFBR1 P36897 1/20 0.53
FYN P06241 6/20 0.52
TLR9 Q9NR96 3/20 0.48
TLR8 Q9NR97 3/20 0.48
TLR7 Q9NYK1 3/20 0.48
ZAP70 P43403 1/20 0.47
TNKS O95271 3/20 0.47
CNR2 P34972 1/20 0.45
ATM Q13315 2/20 0.44
TDO2 P48775 1/20 0.44
HRH4 Q9H3N8 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
SCHEMBL15340908 0.84 HRH4 (0.44) ACVR1BTGFBR1TLR9TLR8TLR7
SCHEMBL15344115 0.84 ACVR1B (0.57) ACVR1BTGFBR1FYNTLR9TLR8
SCHEMBL15340948 0.81 ATM (0.53) FYNTLR9TLR8TLR7TNKS
SCHEMBL10203431 0.79 HRH4 (0.56) TLR9TLR8TLR7HRH4
SCHEMBL13086694 0.78 TLR9 (0.48) FYNTLR9TLR8TLR7TNKS
SCHEMBL10127337 0.77 HTR3A (0.49) HRH4
SCHEMBL13086691 0.76 TDO2 (0.48) FYNTLR9TLR8TLR7TNKS
SCHEMBL13086695 0.75 RET (0.48) FYNTLR9TLR8TLR7TNKS
SCHEMBL13086456 0.74 FYN (0.46) FYNTLR9TLR8TLR7ZAP70
SCHEMBL29883568 0.74 HRH4 (0.62) ACVR1BTGFBR1FYNZAP70TNKS

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 ACVR1B 4089/4885TGFBR1 4545/4885FYN 823/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 ACVR1B 568/4885TGFBR1 4701/4885FYN 2654/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ACVR1B 4089/4885TGFBR1 4545/4885FYN 823/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ACVR1B 4089/4885TGFBR1 4545/4885FYN 823/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 ACVR1B 568/4885TGFBR1 4701/4885FYN 2654/4885

“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.