SCHEMBL2220650

SCHEMBL2220650

Cc1c(Cl)nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
TRPV1 Q8NER1 4/20 0.42
SUV39H2 Q9H5I1 2/20 0.41
HDAC1 Q13547 1/20 0.41
SMO Q99835 7/20 0.37
SETD7 Q8WTS6 1/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL2220648 1.00 MAP4K4 (0.45) MAP4K4GPR119TRPV1SUV39H2HDAC1
SCHEMBL1102299 0.83 SMO (0.51) MAP4K4GPR119TRPV1SUV39H2HDAC1
SCHEMBL4166702 0.83 SMO (0.51) MAP4K4GPR119TRPV1SUV39H2HDAC1
SCHEMBL2277210 0.83 SMO (0.51) MAP4K4GPR119TRPV1SUV39H2HDAC1
SCHEMBL2212683 0.83 SMO (0.43) TRPV1SMO
SCHEMBL2217412 0.81 SMO (0.55) MAP4K4GPR119HDAC1SMO
SCHEMBL2217409 0.81 SMO (0.55) MAP4K4GPR119HDAC1SMO
SCHEMBL5240108 0.80 MAP4K4 (0.50) MAP4K4GPR119TRPV1SUV39H2HDAC1
SCHEMBL12435071 0.79 SMO (0.56) MAP4K4GPR119SMO
SCHEMBL31105008 0.77 MAP4K4 (0.50) MAP4K4GPR119TRPV1SUV39H2HDAC1

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
CN-102216292-B Tetrasubstituted pyridazines HEDGEHOG pathway antagonists LILLY CO ELI 2014-08-13 CN disclosed
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
CN-102216292-A Tetrasubstituted pyridazines HEDGEHOG pathway antagonists LILLY CO ELI 2011-10-12 CN 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

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 MAP4K4 935/4885GPR119 984/4885TRPV1 1058/4885

“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.