SCHEMBL12371790

SCHEMBL12371790

C[C@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMO Q99835 14/20 0.74
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
ADRB2 P07550 1/20 0.45
TRPV1 Q8NER1 3/20 0.44

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
SCHEMBL12371761 0.91 SMO (0.71) SMOMEN1KMT2APOLBADRB2
SCHEMBL2276477 0.91 SMO (0.71) SMOMEN1KMT2APOLBADRB2
SCHEMBL2276481 0.91 SMO (0.71) SMOMEN1KMT2APOLBADRB2
SCHEMBL1102303 0.90 SMO (0.70) SMOMEN1KMT2A
SCHEMBL3638823 0.90 SMO (0.70) SMOMEN1KMT2A
SCHEMBL4166778 0.90 SMO (0.70) SMOMEN1KMT2A
SCHEMBL12371792 0.88 SMO (0.59) SMOMEN1KMT2APOLBADRB2
SCHEMBL2272806 0.88 SMO (0.84) SMOTRPV1
SCHEMBL12371787 0.86 SMO (0.57) SMOMEN1KMT2APOLBADRB2
SCHEMBL1091375 0.85 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 6 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
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-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

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.