SCHEMBL14576530

SCHEMBL14576530

COC(=O)c1c2c(n(C3CC3)c1N)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ ALDH1A1 P00352 11/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ HPGD P15428 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ USP2 O75604 2/20 0.38
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37

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
SCHEMBL19140899 0.69 MAPK1 (0.51) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL19140752 0.69 MAPK1 (0.44) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL14576086 0.66 ALDH1A1 (0.39) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL21626290 0.65 ALDH1A1 (0.48) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL31714739 0.63 ALDH1A1 (0.45) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2179728 0.63 ALDH1A1 (0.70) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL14576607 0.62 GAA (0.46) ALDH1A1GAAMAPTSMN1; SMN2RAB9A
SCHEMBL10714412 0.62 ALDH1A1 (0.68) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL21844090 0.62 ALDH1A1 (0.50) MAPK1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3980109 0.62 METAP2 (0.43) MAPK1ALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731436-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-05-21 — — EP disclosed
US-8609653-B2 Azaindole compounds and methods for treating HIV GLAXOSMITHKLINE LLC (US) 2013-12-17 — — US disclosed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 — — WO disclosed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 — — WO disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 — — US disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 — — US disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 — — 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 (1 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-20130018049-A1 Azaindole Compounds and Methods for Treating HIV AZI2, TPMT, INMT MAPK1 4211/4885ALDH1A1 1779/4885KDM4E 199/4885

“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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