SCHEMBL15340948

SCHEMBL15340948

CC(C)c1cccc(-c2ccc(N3CCN(C)CC3)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
TLR9 Q9NR96 4/20 0.51
TLR8 Q9NR97 4/20 0.51
TLR7 Q9NYK1 4/20 0.51
TNKS O95271 3/20 0.50
FYN P06241 3/20 0.50
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
CNR2 P34972 1/20 0.48
HTR3A P46098 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
TDO2 P48775 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
DGAT1 O75907 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
SCHEMBL24721357 0.89 ATM (0.52) ATMTLR9TLR8TLR7CNR2
SCHEMBL24721023 0.86 TLR9 (0.53) TLR9TLR8TLR7CNR2PSEN1
SCHEMBL13086694 0.84 TLR9 (0.48) ATMTLR9TLR8TLR7TNKS
SCHEMBL15340858 0.83 KDM4E (0.52) TLR9TLR8TLR7HTR3A
SCHEMBL15344195 0.82 FYN (0.53) TLR9TLR8TLR7TNKSFYN
SCHEMBL24721151 0.82 CNR2 (0.47) ATMTLR9TLR8TLR7CNR2
SCHEMBL24721010 0.82 PSEN1 (0.44) ATMTLR9TLR8TLR7CNR2
SCHEMBL24721146 0.81 CKS1B (0.51) TLR8TLR7CNR2PSEN1PSEN2
SCHEMBL24721148 0.81 PSEN1 (0.48) TLR8TLR7PSEN1PSEN2APH1B
SCHEMBL24721147 0.81 PSEN1 (0.48) TLR8TLR7PSEN1PSEN2APH1B

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 ATM 2034/4885TLR9 2463/4885TLR8 2377/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 ATM 1637/4885TLR9 4139/4885TLR8 3998/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ATM 2034/4885TLR9 2463/4885TLR8 2377/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ATM 2034/4885TLR9 2463/4885TLR8 2377/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 ATM 1637/4885TLR9 4139/4885TLR8 3998/4885

“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.