SCHEMBL2276477

SCHEMBL2276477

CC1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 15/20 0.71
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.46
ADRB2 P07550 1/20 0.46
GRIA1 P42261 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
SCHEMBL2276481 1.00 SMO (0.71) SMOMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL12371761 1.00 SMO (0.71) SMOMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL1102303 0.92 SMO (0.70) SMOMEN1KMT2ANPSR1
SCHEMBL3638823 0.92 SMO (0.70) SMOMEN1KMT2ANPSR1
SCHEMBL4166778 0.92 SMO (0.70) SMOMEN1KMT2ANPSR1
SCHEMBL12371790 0.91 SMO (0.74) SMOMEN1KMT2APOLBADRB2
SCHEMBL12371792 0.90 SMO (0.59) SMOMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL12371768 0.88 SMO (0.58) SMOMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL12371787 0.88 SMO (0.57) SMOMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL12435071 0.87 SMO (0.56) SMOGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364185-B1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2013-05-22 EP disclosed
EP-2364185-B1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS LILLY CO ELI (US) 2013-05-22 EP disclosed
US-8404687-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-03-26 US disclosed
US-8404687-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-03-26 US disclosed
US-8404687-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-03-26 US disclosed
EP-2364185-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-09-14 EP disclosed
US-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-08-04 US disclosed
US-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-08-04 US disclosed
US-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-08-04 US disclosed
WO-2010062507-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-03 WO disclosed
WO-2010062507-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-03 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-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO SMO 3/4885MEN1 2224/4885KMT2A 590/4885

“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.