SCHEMBL15340909

SCHEMBL15340909

CC(C)c1ccnc(-c2cncc(C(=O)O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
KMO O15229 2/20 0.43
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
HCAR2 Q8TDS4 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
P4HA1 P13674 1/20 0.39
ALDH1A1 P00352 3/20 0.39
APP P05067 1/20 0.39
GAA P10253 1/20 0.39
HCAR3 P49019 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
PFKFB3 Q16875 1/20 0.39
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL15340918 0.88 MKNK1 (0.46) MKNK1MKNK2LDHBCHEK1
SCHEMBL24358706 0.84 RXRA (0.55) KMOLDHALDHBRXRARXRB
SCHEMBL15344116 0.81 CYP2A6 (0.58) XDHMKNK1MKNK2KMOHCAR2
SCHEMBL19501402 0.76 CYP2A6 (0.63) KMOALDH1A1LOXL2
SCHEMBL4903779 0.75 KDM4E (0.57) MKNK1MKNK2KMOLDHAHCAR2
SCHEMBL15340927 0.74 LDHB (0.49) LDHBRXRARXRBRXRG
SCHEMBL15340903 0.74 CYP11B1 (0.44) MKNK1MKNK2
SCHEMBL13384499 0.73 HCAR2 (0.57) XDHMKNK1MKNK2HCAR2RXRA
SCHEMBL30281214 0.73 HCAR2 (0.57) XDHMKNK1MKNK2HCAR2RXRA
SCHEMBL22971726 0.72 MAPKAPK2 (0.43)

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 XDH 78/4885MKNK1 1943/4885MKNK2 1650/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 XDH 381/4885MKNK1 1479/4885MKNK2 1629/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 XDH 78/4885MKNK1 1943/4885MKNK2 1650/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 XDH 78/4885MKNK1 1943/4885MKNK2 1650/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 XDH 381/4885MKNK1 1479/4885MKNK2 1629/4885

“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.