SCHEMBL31596016

SCHEMBL31596016

Cc1cc(-c2nnc(C=O)o2)nn1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.32
▸ HDAC6 Q9UBN7 5/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ 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
SCHEMBL26051626 0.78 ALDH1A1 (0.34) BAZ2BHDAC6CYP1A2CYP3A4SMN1; SMN2
SCHEMBL31595730 0.76 KMT2A (0.39) CYP1A2CYP3A4
SCHEMBL26206453 0.73 ALDH1A1 (0.43) HDAC6CYP1A2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL31597152 0.73 CYP2C9 (0.37) CYP1A2CYP3A4
SCHEMBL31595885 0.72 COMT (0.36) SMN1; SMN2ALDH1A1
SCHEMBL31595830 0.72 CYP11B2 (0.39) HDAC6SMN1; SMN2ALDH1A1
SCHEMBL31595701 0.69 HIF1A (0.35) —
SCHEMBL31597272 0.68 COMT (0.39) CYP1A2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL21233179 0.67 TSHR (0.44) SMN1; SMN2ALDH1A1
SCHEMBL31595781 0.67 — —

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-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2025-05-29 — — 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-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 BAZ2B 3900/4885HDAC6 3096/4885CYP1A2 1772/4885

“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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