SCHEMBL1089608

SCHEMBL1089608

CC1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.63
HTT P42858 3/20 0.63
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SMO Q99835 9/20 0.56
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.52
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL1089606 1.00 NPSR1 (0.63) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL2275050 0.90 SMO (0.58) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL2278195 0.90 SMO (0.58) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL2275061 0.90 SMO (0.58) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL2277202 0.88 NPSR1 (0.67) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL2279131 0.88 SMO (0.56) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL2279125 0.88 SMO (0.56) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL2277207 0.88 NPSR1 (0.67) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL2276732 0.87 SMO (0.60) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL10441688 0.87 SMO (0.54) NPSR1HTTALDH1A1MEN1KMT2A

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 13 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
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
US-8153633-B2 Phthalazine compounds, compositions and methods of use AMGEN INC. (US) 2012-04-10 US disclosed
US-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-08-04 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
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
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 NPSR1 1766/4885HTT 163/4885ALDH1A1 183/4885
US-20110190304-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO NPSR1 1903/4885HTT 1781/4885ALDH1A1 2679/4885

“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.