SCHEMBL8485490

SCHEMBL8485490

[c]1ccnc(NC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCAR3 P49019 3/20 0.36
CTSK P43235 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
ALOX15 P16050 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 2/20 0.34
HRH4 Q9H3N8 3/20 0.33
NOS2 P35228 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL2829978 0.92 KDM4E (0.47) ALDH1A1KDM4EL3MBTL1HCAR3CTSK
SCHEMBL6950560 0.88 HRH3 (0.49) ALDH1A1KDM4EL3MBTL1CYP1A2CYP3A4
SCHEMBL4709850 0.84 NOS2 (0.40) ALDH1A1KDM4EMALT1L3MBTL1HSD17B10
SCHEMBL4709849 0.84 NOS2 (0.40) ALDH1A1KDM4EMALT1L3MBTL1HSD17B10
SCHEMBL12471246 0.72 HRH4 (0.41) CYP3A4CYP2D6HRH4CYP2C9
SCHEMBL358262 0.70
SCHEMBL7228353 0.70
SCHEMBL7220284 0.70
SCHEMBL5605063 0.68 KDM4E (0.32) ALDH1A1KDM4EMEN1KMT2AHRH3
SCHEMBL526424 0.67 NOS2 (0.55) ALDH1A1KDM4EMALT1L3MBTL1HCAR3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US claimed
EP-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 EP claimed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 WO claimed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO claimed
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 US disclosed
EP-2672967-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-10-17 EP disclosed
US-9776993-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2017-10-03 US disclosed
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-08 US disclosed
US-9624213-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-18 US disclosed
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG 2017-03-02 US disclosed
US-9510598-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2016-12-06 US disclosed
US-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US disclosed
EP-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 EP disclosed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 WO disclosed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 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 (6 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-20150216172-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL NOD1, BROX, CBR3 ALDH1A1 3682/4885KDM4E 1615/4885MALT1 4277/4885
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 ALDH1A1 4369/4885KDM4E 2174/4885MALT1 1635/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 ALDH1A1 4369/4885KDM4E 2174/4885MALT1 1635/4885
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 ALDH1A1 4369/4885KDM4E 2174/4885MALT1 1635/4885
US-20170057951-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL NOD1, BROX, CBR3 ALDH1A1 3682/4885KDM4E 1615/4885MALT1 4277/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 ALDH1A1 4369/4885KDM4E 2174/4885MALT1 1635/4885

“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.