SCHEMBL23637726

SCHEMBL23637726

CC(C)(C)OC(=O)Nc1ccc(Oc2ccncc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.63
RAF1 P04049 8/20 0.55
NAMPT P43490 1/20 0.53
RIPK2 O43353 1/20 0.53
MAPK13 O15264 2/20 0.52
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
BRAF P15056 1/20 0.49
KDR P35968 1/20 0.49
MAPK14 Q16539 1/20 0.49
TNNI3K Q59H18 1/20 0.49
PSMB8 P28062 1/20 0.47
GALR3 O60755 1/20 0.47
NPC1 O15118 1/20 0.46
CRHBP P24387 1/20 0.46
RAB9A P51151 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL29131710 0.91 HPGD (0.59) CYP17A1NAMPTHPGDSMN1; SMN2PSMB8
SCHEMBL334709 0.87 CYP17A1 (0.68) CYP17A1NAMPTPSMB8
SCHEMBL20865538 0.86 CYP17A1 (0.59) CYP17A1NAMPTHPGDSMN1; SMN2PSMB8
SCHEMBL4759920 0.84 CYP17A1 (0.79) CYP17A1NAMPTPSMB8
SCHEMBL23966382 0.84 HPGD (0.53) CYP17A1NAMPTHPGDSMN1; SMN2MAPK14
SCHEMBL29131712 0.84 HPGD (0.71) RAF1MAPK13HPGDSMN1; SMN2MAPK14
SCHEMBL30929531 0.84 EPHX2 (0.51) CYP17A1NAMPTHPGDSMN1; SMN2BRAF
SCHEMBL20469627 0.83 MEN1 (0.53) CYP17A1RAF1NAMPTHPGDSMN1; SMN2
SCHEMBL20865537 0.83 HPGD (0.51) CYP17A1RAF1NAMPTHPGDSMN1; SMN2
SCHEMBL31483499 0.83 ALDH1A1 (0.52) CYP17A1HPGDSMN1; SMN2PSMB8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219489-A2 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF Washington University (US) 2023-08-02 EP disclosed
US-20230192728-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2023-06-22 US disclosed
US-20230192728-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2023-06-22 US disclosed
US-20210214378-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2021-07-15 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 (2 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-20230192728-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF MAPK13, MAPK12, MAP3K13 CYP17A1 2411/4885RAF1 57/4885NAMPT 636/4885
US-20210214378-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF MAPK13, MAPK12, MAP3K13 CYP17A1 2411/4885RAF1 57/4885NAMPT 636/4885

“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.