SCHEMBL4440844

SCHEMBL4440844

Cc1ccc(-c2nc(N3CCC(NS(C)(=O)=O)CC3)ccc2Br)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMO Q99835 20/20 1.00

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
SCHEMBL15169337 0.88 SMO (1.00) SMO
SCHEMBL15169592 0.84 SMO (1.00) SMO
SCHEMBL4440843 0.77 SMO (1.00) SMO
SCHEMBL2714431 0.75 SMO (1.00) SMO
SCHEMBL2713607 0.72 SMO (1.00) SMO
SCHEMBL17411275 0.70 SMO (0.62) SMO
SCHEMBL2713162 0.69 SMO (1.00) SMO
SCHEMBL15169663 0.69 SMO (1.00) SMO
SCHEMBL4437106 0.69 SMO (0.57) SMO
SCHEMBL31722781 0.68 OPRK1 (0.67) SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630134-B9 PYRIDINE-2- DERIVATIVES AS SMOOTHENED RECEPTOR MODULATORS PFIZER (US) 2018-04-18 EP disclosed
US-9056865-B2 Pyridine-2-derivatives as smoothened receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-9056865-B2 Pyridine-2-derivatives as smoothened receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-9056865-B2 Pyridine-2-derivatives as smoothened receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
EP-2630134-B1 PYRIDINE-2- DERIVATIVES AS SMOOTHENED RECEPTOR MODULATORS PFIZER (US) 2015-05-20 EP disclosed
US-20130210800-A1 PYRIDINE-2-DERIVATIVES AS SMOOTHENED RECEPTOR MODULATORS PFIZER INC. (US) 2013-08-15 US disclosed
US-20130210800-A1 PYRIDINE-2-DERIVATIVES AS SMOOTHENED RECEPTOR MODULATORS PFIZER INC. (US) 2013-08-15 US disclosed
US-20130210800-A1 PYRIDINE-2-DERIVATIVES AS SMOOTHENED RECEPTOR MODULATORS PFIZER INC. (US) 2013-08-15 US disclosed
WO-2012052948-A1 PYRIDINE- 2- DERIVATIVES AS SMOOTHENED RECEPTOR MODULATORS PFIZER INC. (US) 2012-04-26 WO 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-20130210800-A1 PYRIDINE-2-DERIVATIVES AS SMOOTHENED RECEPTOR MODULATORS SMO, EDNRB, RXFP1 SMO 1/4885

“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.