SCHEMBL24908100

SCHEMBL24908100

Cc1cn(C)nc1C(P)P

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL12456245 0.79 PAK4 (0.35) ALDH1A1
SCHEMBL13645677 0.77 COMT (0.32) ALDH1A1
SCHEMBL2325696 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13295543 0.77 CYP1A2 (0.31) ALDH1A1
SCHEMBL20934269 0.76 CYP1A2 (0.30) ALDH1A1
SCHEMBL23869550 0.76 CYP1A2 (0.30) ALDH1A1
SCHEMBL5697417 0.74 BRAF (0.31)
Hydrochloric Acid SCHEMBL19384651 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21232941 0.72 CYP1A2 (0.32)
SCHEMBL19403253 0.72 CYP1A2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2023-01-26 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-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DPYD, TYMP, TYMS ALDH1A1 953/4885

“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.