SCHEMBL15340902

SCHEMBL15340902

CC(C)c1ccnc(-c2ccc3c(cnn3C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.46
TRPA1 O75762 1/20 0.43
CDC7 O00311 1/20 0.41
APP P05067 1/20 0.40
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
SYK P43405 2/20 0.39
PIM1 P11309 1/20 0.39
KDM1A O60341 1/20 0.39
FLT3 P36888 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
SRC P12931 2/20 0.38
USP7 Q93009 1/20 0.38
AR P10275 2/20 0.38
LRRK2 Q5S007 1/20 0.38
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 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
SCHEMBL15340901 0.89 IRAK4 (0.45) CCNCCDK8SYKPIM1FLT3
SCHEMBL15341882 0.85 MET (0.43) KDM5BCDK8PIM1ATP1A1ATP1B1
SCHEMBL15341886 0.84 IRAK4 (0.40) KDM5BPIM1ATP1A1ATP1B1ATP1A3
SCHEMBL15341867 0.83 MAPK1 (0.42) KDM5BTRPA1CDC7SYKPIM1
SCHEMBL15341733 0.83 PIM1 (0.43) KDM5BPIM1IRAK4
SCHEMBL15341724 0.83 TGFBR1 (0.37) KDM5BCDK8PIM1IRAK4
SCHEMBL15344156 0.83 CCR1 (0.47) KDM5BTRPA1CDC7APPCCNC
SCHEMBL15341859 0.82 KDM5B (0.46) KDM5BTRPA1CDC7APPCCNC
SCHEMBL15341725 0.82 IRAK4 (0.37) KDM5BTRPA1PIM1SRCIRAK4
SCHEMBL15341722 0.81 GPR119 (0.42) SYKPIM1IRAK4

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 KDM5B 3695/4885TRPA1 4316/4885CDC7 2195/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 KDM5B 4421/4885TRPA1 4766/4885CDC7 1712/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 KDM5B 3695/4885TRPA1 4316/4885CDC7 2195/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 KDM5B 3695/4885TRPA1 4316/4885CDC7 2195/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 KDM5B 4421/4885TRPA1 4766/4885CDC7 1712/4885

“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.