SCHEMBL26035544

SCHEMBL26035544

Cc1ccc(NC(=O)c2ccc(C(=N)NC3CCCCC3)cc2)cc1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
MET P08581 1/20 0.47
KDR P35968 1/20 0.47
MERTK Q12866 1/20 0.47
MAPK11 Q15759 1/20 0.47
KIT P10721 1/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL12214423 0.89 EGFR (0.47) EGFRERBB2METKDRMERTK
SCHEMBL1018220 0.89 EGFR (0.49) EGFRERBB2METKDRMERTK
SCHEMBL26035579 0.85 NPC1 (0.55) MAPK14KMT2ANPC1RAB9A
SCHEMBL26037249 0.84 NPC1 (0.50) MAPK14KMT2ANPC1RAB9A
SCHEMBL26038384 0.83 MAPK14 (0.46) MAPK14
SCHEMBL26037260 0.81 MAPK14 (0.48) MAPK14KMT2ANPC1RAB9A
SCHEMBL26035597 0.81 MAPK14 (0.46) MAPK14KMT2ANPC1RAB9A
SCHEMBL26035489 0.81 ATM (0.55) MAPK14KMT2AKDM4ENPC1RAB9A
SCHEMBL26035569 0.80 CREBBP (0.47) MAPK14KMT2ANPC1RAB9A
SCHEMBL26035561 0.80 MAPK14 (0.47) MAPK14KMT2ANPC1RAB9A

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 MAPK14 698/4885EGFR 7/4885ERBB2 49/4885

“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.