SCHEMBL2277210

SCHEMBL2277210

CC1CN(c2nnc(Cl)c3ccccc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 11/20 0.51
HDAC1 Q13547 1/20 0.47
MAP4K4 O95819 1/20 0.47
GPR119 Q8TDV5 2/20 0.45
SUV39H2 Q9H5I1 2/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
NR1H2 P55055 1/20 0.40

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
SCHEMBL4166702 1.00 SMO (0.51) SMOHDAC1MAP4K4GPR119SUV39H2
SCHEMBL1102299 1.00 SMO (0.51) SMOHDAC1MAP4K4GPR119SUV39H2
SCHEMBL1102304 0.85 NR1H2 (0.54) SMOHDAC1MEN1GFERKMT2A
SCHEMBL4166778 0.85 SMO (0.70) SMOMEN1KMT2A
SCHEMBL1102303 0.85 SMO (0.70) SMOMEN1KMT2A
SCHEMBL3638823 0.85 SMO (0.70) SMOMEN1KMT2A
SCHEMBL2272698 0.84 SMO (0.59) SMOMEN1GFERKMT2ATRPV1
SCHEMBL2220650 0.83 MAP4K4 (0.45) SMOHDAC1MAP4K4GPR119SUV39H2
SCHEMBL2220648 0.83 MAP4K4 (0.45) SMOHDAC1MAP4K4GPR119SUV39H2
SCHEMBL10192612 0.83 NR1H2 (0.41) SMOHDAC1MEN1GFERKMT2A

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
EP-2170866-B1 PHTHALAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC (US) 2014-08-13 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
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
WO-2010062507-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-03 WO disclosed
EP-2170866-A1 PHTHALAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Amgen Inc. (US) 2010-04-07 EP disclosed
US-20090048259-A1 Phthalazine compounds, compositions and methods of use AMGEN INC. (US) 2009-02-19 US disclosed
WO-2009002469-A1 PHTHALAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2008-12-31 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 (2 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-20090048259-A1 Phthalazine compounds, compositions and methods of use VHL, HDAC5, SUZ12 SMO 520/4885HDAC1 30/4885MAP4K4 3404/4885
US-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO SMO 3/4885HDAC1 77/4885MAP4K4 1133/4885

“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.