SCHEMBL2619786

SCHEMBL2619786

CN1CCN(C(=N)c2ccc(C(=O)Nc3ccc(I)c(-c4ccccn4)c3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.47
CREBBP Q92793 1/20 0.45
CSF1R P07333 1/20 0.43
KIT P10721 1/20 0.43
SCN9A Q15858 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDR P35968 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL2619367 0.91 F10 (0.45) F10CREBBP
SCHEMBL12214705 0.90 F10 (0.46) F10CREBBP
SCHEMBL26038393 0.90 CSF1R (0.47) F10CREBBPCSF1RKITKDR
SCHEMBL2620358 0.89 F10 (0.47) F10SCN9A
SCHEMBL1019134 0.89 ALB (0.51) F10CREBBPKDR
SCHEMBL2620360 0.84 SCN9A (0.46) SCN9ATRPV1
SCHEMBL2619308 0.84 BTK (0.57) CSF1RKITRAB9AKDR
SCHEMBL12727156 0.82 RAB9A (0.54) SCN9ARAB9A
SCHEMBL26035569 0.82 CREBBP (0.47) CREBBPNPC1RAB9ATRPV1
SCHEMBL26035597 0.81 MAPK14 (0.46) CREBBPNPC1RAB9A

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 5 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-8030454-B2 Anti-hedgehog antibodies GENENTECH, INC. (US) 2011-10-04 US disclosed
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS ROYALTY LLC 2011-04-21 US disclosed
US-20100003239-A1 ANTI-HEDGEHOG ANTIBODIES GENENTECH, INC. (US) 2010-01-07 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 (4 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-20100003239-A1 ANTI-HEDGEHOG ANTIBODIES SHH, SMO, GLI1 F10 3366/4885CREBBP 841/4885CSF1R 632/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO F10 2724/4885CREBBP 978/4885CSF1R 256/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO F10 2724/4885CREBBP 978/4885CSF1R 256/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO F10 2724/4885CREBBP 978/4885CSF1R 256/4885

“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.