SCHEMBL30133666

SCHEMBL30133666

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Cl)c1)c1ccn(C(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.50
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ HPGD P15428 4/20 0.40
▸ HTT P42858 4/20 0.40
▸ NPSR1 Q6W5P4 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CTSS P25774 4/20 0.39
▸ CTSK P43235 3/20 0.39
▸ PTPRB P23467 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ PKM P14618 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 2/20 0.38

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
SCHEMBL30133689 0.82 SCN9A (0.39) ALDH1A1SCN9AHPGDHTTNPSR1
SCHEMBL29168234 0.82 SCN9A (0.39) ALDH1A1SCN9AHPGDHTTNPSR1
SCHEMBL30133692 0.80 MAPK1 (0.39) ALDH1A1HPGDHTTNPSR1HSD17B10
SCHEMBL29168067 0.80 MAPK1 (0.39) ALDH1A1HPGDHTTNPSR1HSD17B10
SCHEMBL29168065 0.80 MAPK1 (0.39) ALDH1A1HPGDHTTNPSR1HSD17B10
SCHEMBL29168017 0.79 CTSL (0.54) CTSLALDH1A1CYP3A4SCN9AHPGD
SCHEMBL30133665 0.79 CTSL (0.54) CTSLALDH1A1CYP3A4SCN9AHPGD
SCHEMBL30818180 0.79 CTSL (0.54) CTSLALDH1A1CYP3A4SCN9AHPGD
SCHEMBL29168149 0.78 MEN1 (0.38) ALDH1A1HPGDHTTNPSR1HSD17B10
SCHEMBL29168151 0.78 MEN1 (0.38) ALDH1A1HPGDHTTNPSR1HSD17B10

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-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2024-09-12 — — US disclosed
EP-4352049-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS Avelos Therapeutics Inc. (KR) 2024-04-17 — — EP disclosed
WO-2022260441-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2022-12-15 — — 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 (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-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS MAST1, MAST3, MAST4 CTSL 643/4885ALDH1A1 4232/4885CYP3A4 4857/4885

“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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