SCHEMBL2690355

SCHEMBL2690355

CCCNc1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
RAD52 P43351 1/20 0.42
KDM6B O15054 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
MERTK Q12866 1/20 0.37
CYP2A6 P11509 3/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
DGAT1 O75907 1/20 0.36
ELANE P08246 1/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
MAT2A P31153 2/20 0.35
KDR P35968 1/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2E1 P05181 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL2692307 0.89 MAT2A (0.41) CYP2A6IRAK4DGAT1ELANEMAT2A
Hydrochloric Acid SCHEMBL2688884 0.88 MAT2A (0.40) CYP2A6IRAK4DGAT1ELANEMAT2A
SCHEMBL15346819 0.88 CYP2A6 (0.38) CYP2A6IRAK4DGAT1GSK3AGSK3B
Hydrochloric Acid SCHEMBL15346752 0.88 MAT2A (0.40) CYP2A6IRAK4DGAT1ELANEMAT2A
Ammonia Solution, Strong SCHEMBL20569938 0.88 MAT2A (0.40) PKMRAD52CYP2A6IRAK4DGAT1
SCHEMBL15346750 0.87 IRAK4 (0.39) CYP2A6IRAK4DGAT1GSK3AGSK3B
SCHEMBL2689533 0.86 ALDH1A1 (0.41) CYP2A6IRAK4DGAT1GSK3AGSK3B
SCHEMBL2691982 0.85 KDM6B (0.39) PKMRAD52KDM6BKDM4CMERTK
SCHEMBL15346862 0.85 GSK3A (0.39) CYP2A6IRAK4DGAT1GSK3AGSK3B
SCHEMBL15346699 0.84 GSK3A (0.39) KDM6BKDM4CCYP2A6IRAK4DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-02-20 US disclosed
US-10165775-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-09-21 US disclosed
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-06-29 US disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-11-03 US disclosed
US-9422278-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-08-23 US disclosed
US-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-09 US disclosed
US-20140162874-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-12 US disclosed
WO-2013162716-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 WO disclosed
US-20130288893-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 US disclosed
WO-2013162715-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 WO disclosed
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 US disclosed
EP-2635278-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2013-09-11 EP disclosed
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
WO-2013062981-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO disclosed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 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 (11 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-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS PKM 824/4885RAD52 4605/4885KDM6B 1974/4885
US-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS PKM 824/4885RAD52 4605/4885KDM6B 1974/4885
US-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS PKM 824/4885RAD52 4605/4885KDM6B 1974/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS PKM 824/4885RAD52 4605/4885KDM6B 1974/4885
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS PKM 824/4885RAD52 4605/4885KDM6B 1974/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS PKM 824/4885RAD52 4605/4885KDM6B 1974/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS PKM 824/4885RAD52 4605/4885KDM6B 1974/4885
US-20140162874-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS PKM 824/4885RAD52 4605/4885KDM6B 1974/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS PKM 824/4885RAD52 4605/4885KDM6B 1974/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS PKM 824/4885RAD52 4605/4885KDM6B 1974/4885
US-20130288893-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS PKM 824/4885RAD52 4605/4885KDM6B 1974/4885

“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.