SCHEMBL15340918

SCHEMBL15340918

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.46
MKNK2 Q9HBH9 6/20 0.46
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
SIRT3 Q9NTG7 2/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
PIM1 P11309 2/20 0.40
MAP4K4 O95819 2/20 0.40
CHEK1 O14757 1/20 0.39
DRD1 P21728 1/20 0.39
LDHB P07195 1/20 0.39
FYN P06241 1/20 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
SCHEMBL15340909 0.88 XDH (0.45) MKNK1MKNK2CHEK1LDHB
SCHEMBL15340927 0.85 LDHB (0.49) PIM1MAP4K4LDHBFYN
SCHEMBL15344114 0.82 CYP2A6 (0.56) MKNK1MKNK2CYP11B2CYP11B1SIRT2
SCHEMBL17547132 0.79 MKNK1 (0.47) MKNK1MKNK2CYP11B2CYP11B1SIRT2
SCHEMBL28185179 0.79 MKNK1 (0.63) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL28334001 0.76 CHEK2 (0.59) MKNK1MKNK2CYP11B2CYP11B1SIRT2
SCHEMBL31301228 0.76 CHEK2 (0.59) MKNK1MKNK2CYP11B2CYP11B1SIRT2
SCHEMBL19501402 0.75 CYP2A6 (0.63) PIM1
SCHEMBL24358706 0.74 RXRA (0.55) LDHB
SCHEMBL1758345 0.74 MAP4K4 (0.54) MKNK1MKNK2PIM1MAP4K4LDHB

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 MKNK1 1943/4885MKNK2 1650/4885CYP11B2 19/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 MKNK1 1479/4885MKNK2 1629/4885CYP11B2 21/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MKNK1 1943/4885MKNK2 1650/4885CYP11B2 19/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MKNK1 1943/4885MKNK2 1650/4885CYP11B2 19/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 MKNK1 1479/4885MKNK2 1629/4885CYP11B2 21/4885

“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.