SCHEMBL26035489

SCHEMBL26035489

Cc1ccc(NC(=O)c2ccc(C(=N)NCC3CCCO3)cc2)cc1-c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
POLB P06746 3/20 0.51
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 1/20 0.49
MAPT P10636 1/20 0.49
MAPK14 Q16539 1/20 0.49
HPGD P15428 4/20 0.48
NAMPT P43490 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2619785 0.91 ATM (0.54) ATMPOLBALDH1A1TAAR1MAPT
SCHEMBL1018147 0.91 ATM (0.54) ATMPOLBALDH1A1TAAR1MAPT
SCHEMBL26035561 0.81 MAPK14 (0.47) MAPK14NPC1RAB9AKMT2A
SCHEMBL5603888 0.81 RAB9A (0.57) ATMPOLBALDH1A1MAPTMAPK14
SCHEMBL26035579 0.81 NPC1 (0.55) MAPK14NPC1RAB9AKMT2A
SCHEMBL26035544 0.81 MAPK14 (0.47) MAPK14NPC1RAB9AKDM4EKMT2A
SCHEMBL26037249 0.80 NPC1 (0.50) MAPK14NPC1RAB9AKMT2A
SCHEMBL26035513 0.79 TRPV1 (0.47) MAPK14NPC1RAB9AKMT2A
SCHEMBL26035536 0.79 MAPK14 (0.45) MAPK14NPC1RAB9AKMT2A
SCHEMBL26035527 0.78 MAPK14 (0.44) MAPK14HPGDNPC1RAB9AKMT2A

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 ATM 865/4885POLB 4447/4885ALDH1A1 2407/4885

“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.