SCHEMBL1090772

SCHEMBL1090772

COC(=O)C1CN(c2nnc(Cl)c3ccccc23)CCN1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMO Q99835 18/20 0.54
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK1 P06493 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
BRAF P15056 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
JAK1 P23458 1/20 0.41
CDK2 P24941 1/20 0.41
AXL P30530 1/20 0.41
CDK5 Q00535 1/20 0.41
PTK2B Q14289 1/20 0.41

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
SCHEMBL1090077 0.87 SMO (0.72) SMOMEN1KMT2A
SCHEMBL1102304 0.84 NR1H2 (0.54) SMOMEN1GFERKMT2A
SCHEMBL4183815 0.84 SMO (0.74) SMOMEN1GFERKMT2A
SCHEMBL1102297 0.84 SMO (0.74) SMOMEN1GFERKMT2A
SCHEMBL10193554 0.83 SMO (0.52) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL3700116 0.76 SMO (0.66) SMO
SCHEMBL3700114 0.76 SMO (0.66) SMO
SCHEMBL2272698 0.75 SMO (0.59) SMOMEN1GFERKMT2A
SCHEMBL4171980 0.75 SMO (0.69) SMO
SCHEMBL1090000 0.75 SMO (0.67) 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 8 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-2170866-B1 PHTHALAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC (US) 2014-08-13 EP disclosed
US-8153633-B2 Phthalazine compounds, compositions and methods of use AMGEN INC. (US) 2012-04-10 US disclosed
US-8153633-B2 Phthalazine compounds, compositions and methods of use AMGEN INC. (US) 2012-04-10 US 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
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 (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-20090048259-A1 Phthalazine compounds, compositions and methods of use VHL, HDAC5, SUZ12 SMO 520/4885MEN1 471/4885GFER 3186/4885

“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.