SCHEMBL1102304

SCHEMBL1102304

COC(=O)C1CN(c2nnc(Cl)c3ccccc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.54
NR1H3 Q13133 4/20 0.54
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GFER P55789 1/20 0.40
SMO Q99835 7/20 0.39
HDAC1 Q13547 1/20 0.37
PTPN1 P18031 1/20 0.37
DPP4 P27487 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2277210 0.85 SMO (0.51) NR1H2MEN1KMT2AGFERSMO
SCHEMBL4166702 0.85 SMO (0.51) NR1H2MEN1KMT2AGFERSMO
SCHEMBL1102299 0.85 SMO (0.51) NR1H2MEN1KMT2AGFERSMO
SCHEMBL1090772 0.84 SMO (0.54) MEN1KMT2AGFERSMO
SCHEMBL10192612 0.83 NR1H2 (0.41) NR1H2NR1H3MEN1KMT2AGFER
SCHEMBL15148025 0.80 NR1H2 (0.72) NR1H2NR1H3MEN1KMT2AGFER
SCHEMBL21886120 0.80 NR1H2 (0.72) NR1H2NR1H3MEN1KMT2AGFER
SCHEMBL12324594 0.80 NR1H2 (0.72) NR1H2NR1H3MEN1KMT2AGFER
SCHEMBL25054060 0.78 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL30386832 0.78 NR1H2 (0.59) NR1H2NR1H3

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 7 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
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 NR1H2 524/4885NR1H3 1104/4885MEN1 471/4885

“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.