SCHEMBL13628643

SCHEMBL13628643

Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(I)c(Nc2ccccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
CYP2C9 P11712 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
APEX1 P27695 1/20 0.48
GAA P10253 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
SCHEMBL26033166 0.90 POLB (0.59) LMNACYP2C9POLBMAPTAPEX1
SCHEMBL1015289 0.89 CYP2C9 (0.56) LMNACYP2C9
SCHEMBL13628645 0.83 CYP2C9 (0.54) LMNACYP2C9
SCHEMBL2619535 0.78 CYP2C9 (0.51) LMNACYP2C9
SCHEMBL12918706 0.77 CYP2C9 (0.53) LMNACYP2C9
SCHEMBL26033094 0.77 CYP2C9 (0.55) LMNACYP2C9
SCHEMBL13554801 0.76 CYP2C9 (0.51) LMNACYP2C9
SCHEMBL4434064 0.76 CYP2C9 (0.54) LMNACYP2C9GAA
SCHEMBL10238310 0.76 CYP2C9 (0.54) LMNACYP2C9
SCHEMBL1014694 0.75 CYP2C9 (0.61) CYP2C9

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-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 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-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO LMNA 3716/4885CYP2C9 4725/4885POLB 4447/4885

“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.