SCHEMBL729042

SCHEMBL729042

CCc1[c]nn(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA1 P30542 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
SHMT2 P34897 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PKM P14618 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
KAT2B Q92831 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NFKB1 P19838 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
SCHEMBL354007 0.75 KDM4E (0.45) KDM4EHPGDP2RX7ALDH1A1MAPK1
SCHEMBL29483355 0.70 KDM4E (0.54) KDM4EHPGDP2RX7ALDH1A1MAPK1
SCHEMBL12713296 0.64 KDM4E (0.49) KDM4EHPGDALDH1A1MAPK1L3MBTL1
SCHEMBL4407303 0.64 HPGD (0.57) KDM4EHPGDALDH1A1ADORA1LMNA
SCHEMBL12146363 0.64 P2RX7 (0.68) KDM4EHPGDP2RX7ALDH1A1MAPK1
SCHEMBL795459 0.63 ALDH1A1 (0.37) HPGDALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL7148312 0.63 SMN1; SMN2 (0.49) KDM4EHPGDP2RX7ALDH1A1MAPK1
SCHEMBL416916 0.62 KDM4E (0.61) KDM4EHPGDALDH1A1MAPK1ADORA1
SCHEMBL6312839 0.61 ALDH1A1 (0.64) KDM4EHPGDALDH1A1MAPK1ADORA1
SCHEMBL11861466 0.61 KDM4E (0.67) KDM4EHPGDP2RX7ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060178523-A1 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-10 US claimed
US-10206401-B2 Pyridine compounds for controlling invertebrate pests II BASF SE (DE) 2019-02-19 US disclosed
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2018-05-03 US disclosed
EP-2616458-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2016-07-20 EP disclosed
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2013-08-08 US disclosed
EP-2616458-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2013-07-24 EP disclosed
CN-103097376-A Pyridine compounds for controlling invertebrate pests ii BASF SE 2013-05-08 CN disclosed
US-8324420-B2 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-04 US disclosed
WO-2012034960-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2012-03-22 WO disclosed
US-8138368-B2 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20110313173-A1 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-22 US disclosed
US-20100029951-A1 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-04 US disclosed
US-7649104-B2 producing 3-acyloxyacrylonitrile compound as an agricultural and horticultural pesticide; using the produced 3-oxopropionitrile compound as the intermediate NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-19 US disclosed
US-20060178523-A1 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-10 US 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-10206401-B2 Pyridine compounds for controlling invertebrate pests II PRXL2A, NR2C2, SHROOM3 KDM4E 2131/4885HPGD 2559/4885P2RX7 1026/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 KDM4E 2158/4885HPGD 2415/4885P2RX7 871/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 KDM4E 2495/4885HPGD 2129/4885P2RX7 978/4885
US-20060178523-A1 Process for producing acrylonitrile compound ZYX, ACR, ZDHHC9 KDM4E 1437/4885HPGD 2895/4885P2RX7 4054/4885
US-20110313173-A1 Process for producing acrylonitrile compound ZYX, ACR, ZDHHC9 KDM4E 1437/4885HPGD 2895/4885P2RX7 4054/4885
US-20100029951-A1 Process for producing acrylonitrile compound ZYX, ACR, ZDHHC9 KDM4E 1437/4885HPGD 2895/4885P2RX7 4054/4885

“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.