SCHEMBL26033211

SCHEMBL26033211

Cc1ccc(NC(=O)c2ccc(NCCN3CCOCC3)nc2)cc1-c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
RIPK3 Q9Y572 1/20 0.52
LCK P06239 3/20 0.51
MAPK14 Q16539 3/20 0.51
BRAF P15056 10/20 0.50
RAF1 P04049 9/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
HPGDS O60760 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
SRC P12931 1/20 0.48
TYK2 P29597 1/20 0.48
KDR P35968 1/20 0.48
SYK P43405 1/20 0.48

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
SCHEMBL26033639 0.95 MAPK14 (0.52) RIPK1RIPK3LCKMAPK14BRAF
SCHEMBL2619542 0.90 HPGDS (0.50) RIPK1RIPK3LCKMAPK14BRAF
SCHEMBL1017093 0.90 MTOR (0.53) BRAFCYP1A2CYP3A4TSHRHPGDS
SCHEMBL26033619 0.86 KIF18A (0.51) RIPK1RIPK3LCKMAPK14BRAF
SCHEMBL2619317 0.85 MAPK14 (0.47) LCKMAPK14BRAFHPGDSALDH1A1
SCHEMBL1020175 0.85 MTOR (0.51) BRAFHPGDSALDH1A1
SCHEMBL26033240 0.85 HIF1A (0.58) MAPK14BRAFRAF1HIF1A
SCHEMBL26033613 0.83 HCAR3 (0.51) RAF1CYP1A2ALDH1A1CYP2C19HIF1A
SCHEMBL26033198 0.83 RAF1 (0.60) BRAFRAF1CYP1A2CYP2C19
SCHEMBL26033666 0.82 KIF18A (0.45) MAPK14BRAFCYP2C19KIF18A

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 RIPK1 702/4885RIPK3 527/4885LCK 1002/4885

“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.