SCHEMBL2620360

SCHEMBL2620360

CC1CN(C(=N)c2ccc(C(=O)Nc3ccc(I)c(-c4ccccn4)c3)cc2)CC(C)O1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
MCHR1 Q99705 2/20 0.41
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL26035522 0.90 KDM4E (0.45) SCN9AKDM4ERXFP1MCHR1
SCHEMBL1018219 0.89 ALB (0.49) KDM4E
SCHEMBL2619367 0.85 F10 (0.45)
SCHEMBL2620358 0.84 F10 (0.47) SCN9AKDM4E
SCHEMBL2619786 0.84 F10 (0.47) SCN9ATRPV1
SCHEMBL12727142 0.84 KDM4E (0.64) KDM4ERXFP1
SCHEMBL12214705 0.84 F10 (0.46)
SCHEMBL12727146 0.83 SCN9A (0.49) SCN9AKDM4E
SCHEMBL12215504 0.79 KCNK3 (0.50) TRPV1
SCHEMBL10287501 0.78 TRPV1 (0.46) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 US disclosed
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS ROYALTY LLC 2011-04-21 US disclosed
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 (3 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 SCN9A 4128/4885KDM4E 411/4885RXFP1 62/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SCN9A 4128/4885KDM4E 411/4885RXFP1 62/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO SCN9A 4128/4885KDM4E 411/4885RXFP1 62/4885

“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.