SCHEMBL2691982

SCHEMBL2691982

CCCNc1cn(-c2cccnc2)nc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CYP2A6 P11509 3/20 0.38
CYP2E1 P05181 2/20 0.38
RAD52 P43351 2/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37
DGAT1 O75907 1/20 0.37
ELANE P08246 1/20 0.37
ABCB1 P08183 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
MERTK Q12866 1/20 0.35
GAA P10253 1/20 0.35
NAMPT P43490 2/20 0.35
TLR8 Q9NR97 1/20 0.35
LATS1 O95835 1/20 0.34
MAPK1 P28482 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
SCHEMBL2690355 0.85 PKM (0.42) KDM6BKDM4CCYP2A6CYP2E1RAD52
SCHEMBL2692363 0.84 KCNH3 (0.36) CYP2A6CYP2E1NPC1RAB9ACYP3A4
SCHEMBL14892746 0.83 CYP2A6 (0.38) CYP2A6CYP2E1NPC1RAB9ACYP3A4
SCHEMBL15356677 0.82 CDK2 (0.41) NPC1RAB9ADGAT1NAMPT
SCHEMBL2690304 0.82 CA12 (0.39) CYP2A6CYP2E1NPC1RAB9ACYP3A4
Hydrochloric Acid SCHEMBL14892340 0.82 CYP2A6 (0.37) CYP2A6CYP2E1NPC1RAB9ACYP3A4
SCHEMBL2690439 0.81 CYP2A6 (0.43) CYP2A6CYP2E1NPC1RAB9ACYP3A4
SCHEMBL2690180 0.81 KDM4C (0.40) KDM4CCYP2A6CYP2E1
SCHEMBL2691463 0.78 CYP2A6 (0.40) CYP2A6CYP2E1CYP3A4IRAK4TLR8
SCHEMBL2690249 0.78 CYP2A6 (0.34) CYP2A6CYP2E1NPC1RAB9ACYP3A4

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 45 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
CN-105732580-B Pesticidal compositions and methods related thereto 陶氏益农公司 2018-12-07 CN disclosed
CN-104822266-B Pesticidal compositions and methods related thereto 陶氏益农公司 2017-12-05 CN 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
CN-104378986-B Pesticidal compositions and methods related thereto 陶氏益农公司 2017-05-31 CN disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
CN-104010505-B Pesticidal compositions and methods related thereto 陶氏益农公司 2017-03-15 CN 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
US-20130291227-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
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 (9 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 KDM6B 1974/4885KDM4C 2350/4885CYP2A6 368/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KDM6B 1974/4885KDM4C 2350/4885CYP2A6 368/4885
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KDM6B 1974/4885KDM4C 2350/4885CYP2A6 368/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KDM6B 1974/4885KDM4C 2350/4885CYP2A6 368/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KDM6B 1974/4885KDM4C 2350/4885CYP2A6 368/4885
US-20140162874-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KDM6B 1974/4885KDM4C 2350/4885CYP2A6 368/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS KDM6B 1974/4885KDM4C 2350/4885CYP2A6 368/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS KDM6B 1974/4885KDM4C 2350/4885CYP2A6 368/4885
US-20130288893-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KDM6B 1974/4885KDM4C 2350/4885CYP2A6 368/4885

“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.