SCHEMBL2217409

SCHEMBL2217409

Cc1c(-c2ccccc2)nnc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMO Q99835 12/20 0.55
HDAC1 Q13547 1/20 0.45
MAP4K4 O95819 1/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL2217412 1.00 SMO (0.55) SMOHDAC1MAP4K4CKS1BSKP1
SCHEMBL12435071 0.90 SMO (0.56) SMOMAP4K4GPR119
SCHEMBL4166778 0.89 SMO (0.70) SMO
SCHEMBL3638823 0.89 SMO (0.70) SMO
SCHEMBL1102303 0.89 SMO (0.70) SMO
SCHEMBL12435052 0.88 SMO (0.45) SMOMAP4K4GPR119
SCHEMBL2216812 0.86 SMO (0.62) SMO
SCHEMBL2276477 0.81 SMO (0.71) SMO
SCHEMBL12371761 0.81 SMO (0.71) SMO
SCHEMBL2276481 0.81 SMO (0.71) 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 3 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-20110178093-A1 TETRASUBSTITUTED PYRIDAZINES HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-07-21 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 (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 1/4885HDAC1 333/4885MAP4K4 935/4885

“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.