SCHEMBL2619367

SCHEMBL2619367

N=C(c1ccc(C(=O)Nc2ccc(I)c(-c3ccccn3)c2)cc1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.45
CREBBP Q92793 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL12214705 0.99 F10 (0.46) F10CREBBPKCNH2
SCHEMBL2619786 0.91 F10 (0.47) F10CREBBP
SCHEMBL2620358 0.91 F10 (0.47) F10
SCHEMBL26035569 0.88 CREBBP (0.47) CREBBPKCNH2
SCHEMBL1017925 0.88 ALB (0.51) F10KCNH2
SCHEMBL1018715 0.87 ALB (0.50) F10KCNH2
SCHEMBL26035597 0.87 MAPK14 (0.46) CREBBPKCNH2
SCHEMBL2620360 0.85 SCN9A (0.46)
SCHEMBL12727164 0.82 RAB9A (0.53)
SCHEMBL10287501 0.82 TRPV1 (0.46)

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-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 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 (2 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-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO F10 2724/4885CREBBP 978/4885KCNH2 3359/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO F10 2724/4885CREBBP 978/4885KCNH2 3359/4885

“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.