SCHEMBL439175

SCHEMBL439175

Cc1oc2ncnc(Cl)c2c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
EGFR P00533 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NR2F2 P24468 1/20 0.34
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
TP53 P04637 3/20 0.33
AURKA O14965 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
UBE2N P61088 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHEK1 O14757 1/20 0.32
BRD4 O60885 1/20 0.32
CHRM4 P08173 1/20 0.31

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
SCHEMBL14970109 0.79 NOTUM (0.49) NOTUMEGFRMEN1KMT2AXIAP
SCHEMBL21003081 0.75 EGFR (0.55) NOTUMEGFRTP53ALDH1A1MAPK1
SCHEMBL6410337 0.74 ALDH1A1 (0.44) EGFRMEN1KMT2ATP53ALDH1A1
SCHEMBL10220237 0.73 NOTUM (0.44) NOTUMMEN1KMT2AALDH1A1KDM4E
SCHEMBL10271400 0.73 NOTUM (0.48) NOTUMEGFRMEN1KMT2ATP53
SCHEMBL6408208 0.72 ALDH1A1 (0.43) EGFRMEN1KMT2AAURKAALDH1A1
SCHEMBL6412162 0.70 TEK (0.56) MEN1KMT2ATP53ALDH1A1KDM4E
SCHEMBL21003179 0.70 TP53 (0.61) TP53TSHRMAPTLMNA
SCHEMBL8096184 0.69 ACHE (0.31)
SCHEMBL12559415 0.69 SMN1; SMN2 (0.46) NOTUMMEN1KMT2AALDH1A1KDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036235-B1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-04-19 EP disclosed
EP-3036228-B1 NEW 6-ALKYNYL PYRIDINE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-04-19 EP disclosed
EP-3036235-A1 NEW BIS-AMIDO PYRIDINES Boehringer Ingelheim International GmbH (DE) 2016-06-29 EP disclosed
EP-3036228-A1 NEW 6-ALKYNYL PYRIDINE Boehringer Ingelheim International GmbH (DE) 2016-06-29 EP disclosed
US-9278978-B2 6-Alkynyl Pyridine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-08 US disclosed
US-9249151-B2 Bis-amido pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
US-20150057286-A1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 US disclosed
US-20150057295-A1 New 6-Alkynyl Pyridine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 US disclosed
WO-2015025019-A1 NEW 6-ALKYNYL PYRIDINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 WO disclosed
WO-2015025018-A1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 WO disclosed
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 US disclosed
EP-2616471-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
WO-2012037141-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
WO-2012037141-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 US disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 US disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 US disclosed
US-5486516-A FUNGICIDES, INSECTICIDES, MITICIDES DOWELANCO (US) 1996-01-23 US disclosed
US-5137879-A Fungicide, miticide and insecticide DOWELANCO (US) 1992-08-11 US disclosed
EP-0459611-A2 Furopyrimidine derivatives DOWELANCO (US) 1991-12-04 EP 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 (4 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-20150057295-A1 New 6-Alkynyl Pyridine MKI67, SMARCC1, SMARCC2 NOTUM 4849/4885EGFR 439/4885MEN1 1868/4885
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885EGFR 3727/4885MEN1 2728/4885
US-20150057286-A1 NEW BIS-AMIDO PYRIDINES SMARCC1, MKI67, SMARCC2 NOTUM 4846/4885EGFR 727/4885MEN1 329/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885EGFR 3727/4885MEN1 2728/4885

“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.