SCHEMBL15340927

SCHEMBL15340927

CC(C)c1ccnc(-c2cccc(C(N)=O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHB P07195 1/20 0.49
PRKCI P41743 1/20 0.48
FYN P06241 6/20 0.46
PIM1 P11309 1/20 0.45
MAP2K4 P45985 1/20 0.44
KDM1A O60341 1/20 0.44
PARP1 P09874 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
EGFR P00533 2/20 0.43
CCNT1 O60563 1/20 0.43
CCND1 P24385 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CDK6 Q00534 1/20 0.43

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
SCHEMBL24358706 0.87 RXRA (0.55) LDHBRXRARXRBRXRG
SCHEMBL15340918 0.85 MKNK1 (0.46) LDHBFYNPIM1MAP4K4
SCHEMBL13524581 0.83 RXRA (0.61) LDHBPARP1RXRARXRBRXRG
SCHEMBL4900044 0.82 MAP4K4 (0.54) LDHBPRKCICCNT1CCND1CCNC
SCHEMBL1758345 0.81 MAP4K4 (0.54) LDHBPIM1MAP4K4
SCHEMBL19105555 0.81 LDHB (0.50) LDHBPRKCIFYNPIM1MAP2K4
SCHEMBL842300 0.80 PARP1 (0.61) PRKCIFYNPIM1MAP2K4KDM1A
SCHEMBL14063569 0.79 PRKCI (0.48) LDHBPRKCIFYNPIM1MAP2K4
SCHEMBL30154821 0.79 PARP1 (0.57) PARP1RXRARXRBRXRG
SCHEMBL84456 0.79 PARP1 (0.57) PARP1RXRARXRBRXRG

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 LDHB 702/4885PRKCI 3041/4885FYN 823/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 LDHB 1667/4885PRKCI 2623/4885FYN 2654/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 LDHB 702/4885PRKCI 3041/4885FYN 823/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 LDHB 702/4885PRKCI 3041/4885FYN 823/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 LDHB 1667/4885PRKCI 2623/4885FYN 2654/4885

“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.