SCHEMBL15340939

SCHEMBL15340939

CC(C)c1cccc(-c2cnn(C(C)(C)C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PFKFB3 Q16875 5/20 0.41
PDK2 Q15119 3/20 0.40
PTPN5 P54829 2/20 0.40
EP300 Q09472 4/20 0.39
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
KDM5B Q9UGL1 1/20 0.38
JAK2 O60674 1/20 0.36
MAP3K5 Q99683 1/20 0.35

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
SCHEMBL15344201 0.80 PDK2 (0.42) PFKFB3PDK2EP300BRD4CREBBP
SCHEMBL14870415 0.80 PFKFB3 (0.57) RXRARXRBRXRGPFKFB3
SCHEMBL21876291 0.78 MAP4K4 (0.46) PDK2EP300BRD4CREBBP
SCHEMBL15340950 0.78 PIK3CD (0.47) RXRARXRBRXRGPFKFB3PDK2
SCHEMBL29373029 0.78 MAP4K4 (0.46) PDK2EP300BRD4CREBBP
SCHEMBL18086771 0.77 PDK2 (0.47) PDK2EP300BRD4CREBBPKDM5B
SCHEMBL15341909 0.77 PIM1 (0.47) PDK2KDM5BMAP3K5
SCHEMBL16259634 0.77 PDK2 (0.38) PDK2EP300BRD4CREBBPKDM5B
SCHEMBL15340952 0.75 PRMT5 (0.49) RXRARXRBRXRGPFKFB3PDK2
SCHEMBL5352034 0.74 RXRA (0.62) RXRARXRBRXRGPTPN5BRD4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
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 (6 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 RXRA 1408/4885RXRB 1416/4885RXRG 1133/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK RXRA 1414/4885RXRB 1016/4885RXRG 1022/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 RXRA 396/4885RXRB 581/4885RXRG 365/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 RXRA 1408/4885RXRB 1416/4885RXRG 1133/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 RXRA 1408/4885RXRB 1416/4885RXRG 1133/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 RXRA 396/4885RXRB 581/4885RXRG 365/4885

“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.