SCHEMBL26035522

SCHEMBL26035522

Cc1ccc(NC(=O)c2ccc(C(=N)N3CC(C)OC(C)C3)cc2)cc1-c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MAPK14 Q16539 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCN9A Q15858 1/20 0.43
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL1018219 0.90 ALB (0.49) KDM4E
SCHEMBL2620360 0.90 SCN9A (0.46) KDM4ESCN9ARXFP1MCHR1
SCHEMBL26035569 0.86 CREBBP (0.47) MAPK14RAF1BRAF
SCHEMBL26035586 0.85 RAF1 (0.54) MAPK14RAF1BRAF
SCHEMBL26035597 0.85 MAPK14 (0.46) MAPK14RAF1BRAF
SCHEMBL26038393 0.84 CSF1R (0.47) MAPK14RAF1BRAF
SCHEMBL26037325 0.84 KDM4E (0.65) KDM4ENPSR1RXFP1
SCHEMBL26035148 0.83 SMO (0.47) SCN9ARAF1BRAF
SCHEMBL26035579 0.80 NPC1 (0.55) MAPK14
SCHEMBL26037249 0.78 NPC1 (0.50) MAPK14

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-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 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-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO KDM4E 411/4885MAPK14 698/4885NPSR1 1592/4885

“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.