SCHEMBL3201507

SCHEMBL3201507

Cc1c(Cl)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)C(C)C2)c1C

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 3/20 0.59
SMO Q99835 10/20 0.56

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
SCHEMBL3201485 1.00 SGPL1 (0.59) SGPL1SMO
SCHEMBL1828972 0.84 SMO (0.68) SMO
SCHEMBL3215871 0.77 SMO (0.68) SMO
SCHEMBL13490962 0.77 SMO (0.79) SMO
SCHEMBL27836726 0.77 SGPL1 (0.56) SGPL1SMO
SCHEMBL3260683 0.75 SMO (0.69) SMO
SCHEMBL13490963 0.73 SMO (0.71) SMO
SCHEMBL1835617 0.73 SMO (0.70) SMO
SCHEMBL13490988 0.73 SMO (0.74) SMO
SCHEMBL13534030 0.72 SMO (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409871-B2 Pyridazinyl derivatives as SMO inhibitors NOVARTIS AG (CH) 2016-08-09 US disclosed
CN-102143958-B Pyridazine derivatives as SMO inhibitors NOVARTIS AG 2013-12-18 CN disclosed
US-20130261299-A1 PYRIDAZINYL DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-10-03 US disclosed
US-8481542-B2 Pyridazinyl derivatives as smo inhibitors NOVARTIS AG (CH) 2013-07-09 US disclosed
EP-2318389-B1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-06-19 EP disclosed
US-20120289507-A1 ORGANIC COMPOUNDS AS SMO INHIBITORS NOVARTIS AG (CH) 2012-11-15 US disclosed
US-20100041663-A1 Organic Compounds as Smo Inhibitors NOVARTIS AG 2010-02-18 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-20130261299-A1 PYRIDAZINYL DERIVATIVES AS SMO INHIBITORS SMO, SHH, GLI1 SGPL1 1047/4885SMO 1/4885
US-20100041663-A1 Organic Compounds as Smo Inhibitors SMO, GLI1, SHH SGPL1 1412/4885SMO 1/4885
US-20120289507-A1 ORGANIC COMPOUNDS AS SMO INHIBITORS SMO, GLI1, SHH SGPL1 1412/4885SMO 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.