SCHEMBL14576607

SCHEMBL14576607

CC(=O)Nc1c(C#N)c2c(n1C1CC1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ESR2 Q92731 4/20 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
SCHEMBL14576086 0.72 ALDH1A1 (0.39) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL22013537 0.66 MEN1 (0.54) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL14576530 0.62 MAPK1 (0.40) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL2967431 0.59 MEN1 (0.46) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL23863688 0.58 MEN1 (0.44) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL20631117 0.57 MEN1 (0.35) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL20631121 0.57 ALDH1A1 (0.39) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL14653052 0.57 ALDH1A1 (0.42) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL9784519 0.56 CA12 (0.40) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL22705075 0.56 KMT2A (0.42) GAAMEN1KMT2AALDH1A1HTT

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
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
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 GAA 828/4885MEN1 3932/4885KMT2A 298/4885

“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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