SCHEMBL1090965

SCHEMBL1090965

COC(=O)C1CN(c2nnc(Cl)c3ccccc23)CCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
GFER P55789 1/20 0.45
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMO Q99835 3/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE5A O76074 3/20 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
SCHEMBL10192615 0.81 MEN1 (0.42) MEN1KMT2AGFERKDM4EALDH1A1
SCHEMBL1102295 0.79 MEN1 (0.55) MEN1KMT2AGFERALDH1A1HPGD
SCHEMBL3669381 0.79 MEN1 (0.55) MEN1KMT2AGFERALDH1A1HPGD
SCHEMBL17844907 0.79 HTR2C (0.53)
SCHEMBL27032901 0.76 ADRB1 (0.51) MEN1KMT2AGFERKDM4EHSD17B10
SCHEMBL15148004 0.76 ADRB1 (0.51) MEN1KMT2AGFERKDM4EHSD17B10
SCHEMBL12324599 0.76 ADRB1 (0.51) MEN1KMT2AGFERKDM4EHSD17B10
Hydrochloric Acid SCHEMBL27823517 0.75 ADRB1 (0.50) MEN1KMT2AGFERKDM4EHSD17B10
SCHEMBL1090772 0.74 SMO (0.54) MEN1KMT2AGFERSMO
SCHEMBL4925870 0.74 ADRB1 (0.50) MEN1KMT2AKDM4EALDH1A1CYP1A2

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 MEN1 471/4885KMT2A 670/4885GFER 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.