SCHEMBL2216258

SCHEMBL2216258

Cc1c(-c2ccc(F)cc2)nnc(N2CCN[C@@H](C)C2)c1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 7/20 0.51
CSNK1E P49674 2/20 0.49
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KIT P10721 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1828652 1.00 SMO (0.51) SMOCSNK1EMAPK13MAPK12MAPK11
SCHEMBL1830933 1.00 SMO (0.51) SMOCSNK1EMAPK13MAPK12MAPK11
SCHEMBL2214332 0.87 CSNK1E (0.47) SMOCSNK1EMAPK13MAPK12MAPK11
SCHEMBL2214340 0.87 CSNK1E (0.47) SMOCSNK1EMAPK13MAPK12MAPK11
SCHEMBL3225417 0.87 SMO (0.53) SMOCSNK1EMAPK13MAPK12MAPK11
SCHEMBL3225407 0.87 SMO (0.53) SMOCSNK1EMAPK13MAPK12MAPK11
SCHEMBL12435066 0.85 SMO (0.40) SMOCSNK1EMAPK13MAPK12MAPK11
SCHEMBL2275050 0.84 SMO (0.58) SMOCSNK1EGAAMEN1KMT2A
SCHEMBL2275061 0.84 SMO (0.58) SMOCSNK1EGAAMEN1KMT2A
SCHEMBL2278195 0.84 SMO (0.58) SMOCSNK1EGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358703-B1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2013-12-25 EP disclosed
US-8445493-B2 Tetrasubstituted pyridazines hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-05-21 US disclosed
US-8445493-B2 Tetrasubstituted pyridazines hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-05-21 US disclosed
US-8445493-B2 Tetrasubstituted pyridazines hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-05-21 US disclosed
US-20110178093-A1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-07-21 US disclosed
US-20110178093-A1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-07-21 US disclosed
US-20110178093-A1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-07-21 US disclosed
WO-2010056620-A1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-20 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-20110178093-A1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS SMO, SHH, GLI1 SMO 1/4885CSNK1E 2260/4885MAPK13 824/4885

“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.