SCHEMBL6473545

SCHEMBL6473545

CSc1ncc(N)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.39
AHR P35869 1/20 0.39
HASPIN Q8TF76 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
UHRF1 Q96T88 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
Hydrochloric Acid SCHEMBL27478819 0.98 AHR (0.38) HSP90AB1AHRHASPINMEN1KMT2A
SCHEMBL9409348 0.80 HASPIN (0.39) HSP90AB1HASPINMEN1KMT2ARAB9A
SCHEMBL10261190 0.78 HASPIN (0.38) HSP90AB1HASPINMEN1KMT2ARAB9A
SCHEMBL31591033 0.77 ALDH1A1 (0.45) AHRMEN1KMT2ANPC1RAB9A
SCHEMBL12051523 0.77 ALDH1A1 (0.45) AHRMEN1KMT2ANPC1RAB9A
SCHEMBL10997608 0.77 MEN1 (0.41) HSP90AB1AHRHASPINMEN1KMT2A
SCHEMBL19725081 0.77 MEN1 (0.44) HSP90AB1AHRHASPINMEN1KMT2A
SCHEMBL1492552 0.77 HASPIN (0.37) HSP90AB1HASPINMEN1KMT2ARAB9A
SCHEMBL8264435 0.74 MEN1 (0.55) AHRMEN1KMT2ANPC1RAB9A
SCHEMBL31443418 0.74 MEN1 (0.55) AHRMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022266190-A1 SUBSTITUTED PYRIMIDINYL-PYRAZOLES AS CDK2 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2022-12-22 WO disclosed
CN-112004845-A Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer, and semiconductor device 三菱瓦斯化学株式会社 2020-11-27 CN disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 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-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 HSP90AB1 2055/4885AHR 2345/4885HASPIN 2190/4885

“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.