SCHEMBL19356863

SCHEMBL19356863

N#Cc1ccc([C]2CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.52
▸ KIF11 P52732 3/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CYP2A6 P11509 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ TSHR P16473 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ CYP11B2 P19099 4/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ CYP11B1 P15538 2/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL3706666 0.90 PTGS2 (0.49) MMP3KIF11CA12CA2CA9
SCHEMBL27586798 0.88 MMP3 (0.46) MMP3KIF11CA12CA2CA9
SCHEMBL6075961 0.81 CYP11B1 (0.48) MMP3KIF11CA12CA2CA9
SCHEMBL13063633 0.80 MMP3 (0.74) MMP3KIF11CA12CA2CA9
SCHEMBL26246 0.80 MMP3 (0.74) MMP3KIF11CA12CA2CA9
SCHEMBL396846 0.80 MMP3 (0.74) MMP3KIF11CA12CA2CA9
Water SCHEMBL11055485 0.80 MMP3 (0.74) MMP3KIF11CA12CA2CA9
Methane SCHEMBL28372042 0.77 MMP3 (0.70) MMP3KIF11CA12CA2CA9
SCHEMBL45942 0.76 CA2 (0.69) MMP3KIF11CA12CA2CA9
SCHEMBL2503454 0.76 CA2 (0.69) MMP3KIF11CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 — — US claimed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 — — EP claimed
CN-109071444-A N- (cyanobenzyl) -6- (cyclopropyl-carbonylamino) -4- (phenyl) -pyridine-2-carboxamide derivatives and related compounds as pesticides and plant protection agents 拜耳作物科学股份公司 2018-12-21 — — CN claimed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 — — WO claimed
US-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 — — US disclosed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 — — EP disclosed
CN-109071444-A N- (cyanobenzyl) -6- (cyclopropyl-carbonylamino) -4- (phenyl) -pyridine-2-carboxamide derivatives and related compounds as pesticides and plant protection agents 拜耳作物科学股份公司 2018-12-21 — — CN disclosed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 — — WO disclosed
CN-1069316-C Substituted 5-ring heterocycles, their preparation and their use HOECHST AG (DE) 2001-08-08 — — CN disclosed
CN-1134696-A Substituted 5-membered heterocycles, process for their preparation and their use CASSELLA FARBWERKE MAINKUR AG (DE) 1996-10-30 — — CN 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 (1 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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES CHRM1, CHRM2, ACHE MMP3 4801/4885KIF11 3107/4885CA12 4356/4885

“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.

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