SCHEMBL21236760

SCHEMBL21236760

CCOC(=O)c1cnn(Cc2c(C)nc3nonc3c2N)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ MBOAT4 Q96T53 17/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL22964458 0.79 MBOAT4 (0.58) MBOAT4
SCHEMBL1278845 0.78 ALDH1A1 (0.56) ALDH1A1
SCHEMBL21236759 0.77 MBOAT4 (0.61) MBOAT4
SCHEMBL21236758 0.77 MBOAT4 (0.50) MBOAT4
SCHEMBL21236756 0.77 SCD (0.45) MBOAT4
SCHEMBL21236924 0.76 MBOAT4 (0.46) MBOAT4
SCHEMBL22964464 0.74 MBOAT4 (0.54) MBOAT4
SCHEMBL21236901 0.74 MBOAT4 (0.53) MBOAT4
SCHEMBL21236903 0.73 MBOAT4 (0.57) MBOAT4
SCHEMBL21223022 0.73 MBOAT4 (0.54) MBOAT4KDM4EKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136337-B2 Pyrazole- and indazole-substituted oxadiazolopyridine derivatives for use as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-05 — — US disclosed
US-20210040113-A1 PYRAZOLE- AND INDAZOLE- SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2021-02-11 — — US disclosed
WO-2019149658-A1 PYRAZOLE- AND INDAZOLE-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-08 — — WO 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 (2 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-20210040113-A1 PYRAZOLE- AND INDAZOLE- SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS GIPR, GPR119, MBOAT4 HTT 1711/4885MBOAT4 3/4885KDM4E 2706/4885
US-11136337-B2 Pyrazole- and indazole-substituted oxadiazolopyridine derivatives for use as ghrelin O-acyl transferase (GOAT) inhibitors GIPR, GPR119, MBOAT4 HTT 1711/4885MBOAT4 3/4885KDM4E 2706/4885

“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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