SCHEMBL3645908

SCHEMBL3645908

Cc1ccc(C#N)cc1NC(=O)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMO Q99835 17/20 0.72
MAPK14 Q16539 16/20 0.72

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
SCHEMBL3648815 0.90 SMO (0.72) SMOMAPK14
SCHEMBL3649540 0.87 SMO (0.77) SMOMAPK14
SCHEMBL3646138 0.86 SMO (0.76) SMOMAPK14
SCHEMBL3648255 0.85 SMO (0.74) SMOMAPK14
SCHEMBL1006766 0.85 MAPK14 (0.74) SMOMAPK14
Water SCHEMBL27817953 0.84 SMO (0.75) SMOMAPK14
SCHEMBL3769398 0.84 MAPK14 (0.89) SMOMAPK14
SCHEMBL3770846 0.84 MAPK14 (0.72) SMOMAPK14
SCHEMBL3646122 0.84 SMO (0.72) SMOMAPK14
SCHEMBL2562617 0.84 SMO (0.72) SMOMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2010-12-09 US disclosed
EP-2188255-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS AstraZeneca AB (SE) 2010-05-26 EP disclosed
WO-2009027746-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2009-03-05 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-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS SHH, GLI1, HRH4 SMO 6/4885MAPK14 1705/4885

“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.