SCHEMBL25253293

SCHEMBL25253293

CCc1nc(N)sc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NOS1 P29475 1/20 0.32
COPS5 Q92905 1/20 0.32
PIK3CG P48736 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3197864 0.79 HTR1A (0.32) ALDH1A1HPGDCOPS5
SCHEMBL13384630 0.77 KMT2A (0.35) KMT2A
SCHEMBL18840282 0.73 NOS1 (0.37) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL5157352 0.73
SCHEMBL24417705 0.71 ALDH1A1 (0.43) ALDH1A1HPGDMAPTNOS1COPS5
SCHEMBL944021 0.71 NOS1 (0.52) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL2175079 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5911688 0.71
SCHEMBL24007297 0.70 NOS1 (0.34) ALDH1A1HPGDNPC1RAB9ANOS1
SCHEMBL20877405 0.70 NOS1 (0.34) ALDH1A1HPGDSMN1; SMN2NOS1COPS5

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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 US disclosed
CN-119421877-A Substituted heterocyclic compounds as HSET inhibitors 默克专利股份公司 2025-02-11 CN disclosed
EP-4463444-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2024-11-20 EP disclosed
WO-2023131690-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2023-07-13 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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS VHL, CDKN1A, CCNI ALDH1A1 1680/4885HPGD 204/4885SMN1; SMN2 3367/4885

“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.