SCHEMBL17616516

SCHEMBL17616516

COc1ccc(C(C)(C)C)c2c1c(C)nn2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ KCNA5 P22460 1/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ BCDIN3D Q7Z5W3 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ THRB P10828 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32

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
SCHEMBL16154718 0.83 KCNA5 (0.36) CYP19A1NQO2KCNA5BRD9ALDH1A1
SCHEMBL16154713 0.80 PDE4A (0.33) ALDH1A1LMNAMAPTPDE4APDE4B
SCHEMBL16154712 0.78 MAPK8 (0.33) MAPK8MAPK9MAPK10MAPTNR3C1
SCHEMBL19788792 0.76 CCR4 (0.42) CYP19A1KCNA5ALDH1A1SMN1; SMN2MAPT
SCHEMBL26033285 0.72 CYP19A1 (0.40) CYP19A1NQO2KCNA5BRD9ALDH1A1
SCHEMBL2949842 0.71 LMNA (0.43) CYP19A1NQO2ALDH1A1LMNAPOLB
SCHEMBL16154728 0.68 PIK3CD (0.30) —
SCHEMBL17616526 0.67 ADORA2A (0.37) ALDH1A1LMNATHRBMAPTTP53
SCHEMBL21863290 0.67 MAPT (0.55) PDE10AKCNA5ALDH1A1SMN1; SMN2LMNA
SCHEMBL30668095 0.66 PDE10A (0.48) PDE10AMAPTNR3C1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 — — US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 — — US disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 — — US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 — — 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 (3 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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 PDE10A 3264/4885CYP19A1 4326/4885NQO2 843/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD PDE10A 2615/4885CYP19A1 854/4885NQO2 781/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 PDE10A 3264/4885CYP19A1 4326/4885NQO2 843/4885

“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.

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