SCHEMBL3687826

SCHEMBL3687826

Cc1ccc(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 16/20 0.80
▸ SMO Q99835 15/20 0.80
▸ RIPK2 O43353 1/20 0.63
▸ NPC1 O15118 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL2351834 0.89 MAPK14 (1.00) MAPK14SMO
SCHEMBL3687987 0.83 MAPK14 (0.68) MAPK14SMORIPK2
SCHEMBL3685192 0.83 MAPK14 (0.76) MAPK14SMORIPK2
SCHEMBL3685018 0.81 SMO (0.80) MAPK14SMO
SCHEMBL3687608 0.79 MAPK14 (0.66) MAPK14SMORIPK2
SCHEMBL25211422 0.79 MAPK14 (0.79) MAPK14SMONPC1SMN1; SMN2
SCHEMBL30445799 0.79 MAPK14 (0.79) MAPK14SMONPC1SMN1; SMN2
SCHEMBL31326473 0.79 MAPT (0.59) MAPK14SMONPC1RAB9ASMN1; SMN2
SCHEMBL14809997 0.78 NPC1 (0.60) MAPK14SMONPC1CASP3RAB9A
SCHEMBL3648249 0.78 CTDSP1 (0.61) MAPK14SMONPC1CASP3RAB9A

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 MAPK14 1705/4885SMO 6/4885RIPK2 1200/4885

“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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