SCHEMBL15340915

SCHEMBL15340915

CC(C)c1ccnc(-c2cnc(C3CCC3)nc2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
MAP3K12 Q12852 1/20 0.35
CHRNA7 P36544 1/20 0.34
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
TGFBR1 P36897 1/20 0.33
MDM2 Q00987 12/20 0.32
TNK2 Q07912 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL15344110 0.81 CCR1 (0.48) MAP3K12
SCHEMBL19756410 0.76 CHRNA7 (0.39) CHRNA7
SCHEMBL15340892 0.75 PIM1 (0.39) PIM1CHRNA7TGFBR1MDM2TP53
SCHEMBL15341915 0.73 FTO (0.39) PIM1ALOX5APFEN1TGFBR1
SCHEMBL15999369 0.72 CHRNA7 (0.44) MAP3K12CHRNA7
SCHEMBL11399098 0.72 CCR1 (0.48) PIM1CHRNA7TGFBR1MDM2TP53
SCHEMBL15341916 0.71 PIM1 (0.41) PIM1TGFBR1
SCHEMBL22971726 0.70 MAPKAPK2 (0.43) PIM1CHRNA7TGFBR1
SCHEMBL4569947 0.70 CHRNA7 (0.47) MAP3K12CHRNA7
SCHEMBL14054103 0.70 ASIC3 (0.53) PIM1TGFBR1

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 PIM1 1335/4885MAP3K12 3112/4885CHRNA7 4147/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PIM1 1422/4885MAP3K12 1699/4885CHRNA7 4462/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PIM1 1335/4885MAP3K12 3112/4885CHRNA7 4147/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PIM1 1335/4885MAP3K12 3112/4885CHRNA7 4147/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PIM1 1422/4885MAP3K12 1699/4885CHRNA7 4462/4885

“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.