SCHEMBL15340892

SCHEMBL15340892

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
TGFBR1 P36897 1/20 0.36
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX12 P18054 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP2A6 P11509 1/20 0.33
CHRNA7 P36544 1/20 0.33
TYR P14679 2/20 0.33
RNASEH1 O60930 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MDM4 O15151 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL15341915 0.80 FTO (0.39) PIM1TGFBR1ALDH1A1HDAC4SMN1; SMN2
SCHEMBL11399098 0.79 CCR1 (0.48) PIM1TGFBR1TRPA1PTGS1CACNA1C
SCHEMBL15341916 0.78 PIM1 (0.41) PIM1TGFBR1ALDH1A1MAPTTDP1
SCHEMBL22971726 0.77 MAPKAPK2 (0.43) PIM1TGFBR1HTTCYP2A6CHRNA7
SCHEMBL14054103 0.77 ASIC3 (0.53) PIM1TGFBR1ALDH1A1CYP2A6KDM4E
SCHEMBL15344159 0.77 CCR1 (0.59) PIM1CYP2A6KDM4ECCR1CCR5
SCHEMBL15340915 0.75 PIM1 (0.35) PIM1TGFBR1CHRNA7TP53MDM2
SCHEMBL23252956 0.75 CCR1 (0.42) PIM1TGFBR1ALDH1A1GAACYP2A6
Hydrochloric Acid SCHEMBL28148517 0.75 ASIC3 (0.52) PIM1TGFBR1ALDH1A1CYP2A6KDM4E
SCHEMBL23076501 0.75 ASIC3 (0.47) PIM1TGFBR1ALDH1A1ALOX12HTT

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-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 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 1335/4885TGFBR1 4545/4885TRPA1 4316/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PIM1 1422/4885TGFBR1 4701/4885TRPA1 4766/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PIM1 1335/4885TGFBR1 4545/4885TRPA1 4316/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PIM1 1335/4885TGFBR1 4545/4885TRPA1 4316/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PIM1 1422/4885TGFBR1 4701/4885TRPA1 4766/4885

“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.