SCHEMBL15340901

SCHEMBL15340901

CC(C)c1ccnc(-c2ccc3cnn(C)c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.45
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
SLC2A1 P11166 1/20 0.42
PIM1 P11309 1/20 0.41
SYK P43405 2/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 1/20 0.39
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
AKT1 P31749 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 1/20 0.38
ATP1B2 P14415 1/20 0.38
ATP1A2 P50993 1/20 0.38
ATP1B3 P54709 1/20 0.38
FXYD2 P54710 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
SCHEMBL15340902 0.89 KDM5B (0.46) IRAK4SLC2A1PIM1SYKFLT3
SCHEMBL15344155 0.83 IRAK4 (0.48) IRAK4ERCC1ERCC4SLC2A1SYK
SCHEMBL15340895 0.81 PIM1 (0.39) IRAK4PIM1ATP1A1ATP1B1ATP1A3
SCHEMBL15341867 0.81 MAPK1 (0.42) PIM1SYKATP1A1ATP1B1ATP1A3
SCHEMBL18652286 0.81 IRAK4 (0.61) IRAK4ERCC1ERCC4SLC2A1SYK
SCHEMBL10080931 0.79 NOTUM (0.42) ERCC1ERCC4PRMT5WDR77CCNC
SCHEMBL15341920 0.79 BRD4 (0.39) PIM1GSK3BCCNCCDK8
SCHEMBL15341886 0.79 IRAK4 (0.40) IRAK4PIM1ATP1A1ATP1B1ATP1A3
SCHEMBL15341733 0.78 PIM1 (0.43) IRAK4PIM1
SCHEMBL15341936 0.77 BRPF1 (0.40) IRAK4PIM1SYKATP1A1ATP1B1

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 IRAK4 2682/4885ERCC1 2783/4885ERCC4 1485/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 IRAK4 2677/4885ERCC1 3358/4885ERCC4 1959/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 IRAK4 2682/4885ERCC1 2783/4885ERCC4 1485/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 IRAK4 2682/4885ERCC1 2783/4885ERCC4 1485/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 IRAK4 2677/4885ERCC1 3358/4885ERCC4 1959/4885

“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.