SCHEMBL3581907

SCHEMBL3581907

CC(C#N)(C(=O)O)c1ccc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.41
PKM P14618 1/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR1 P21453 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
FFAR2 O15552 1/20 0.38
POLB P06746 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4573186 0.76 CHRNA7 (0.44) PTK2PKMS1PR3S1PR1L3MBTL1
SCHEMBL27561961 0.75 KMT2A (0.45) PKMSMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL9978328 0.72 PTK2 (0.49) PTK2SMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL17420409 0.71 L3MBTL1 (0.42) PTK2SMN1; SMN2L3MBTL1POLBRAB9A
SCHEMBL22758108 0.70 PTK2 (0.42) PTK2SMN1; SMN2L3MBTL1ALDH1A1TDP1
SCHEMBL8247564 0.70 FAAH (0.45) PTK2SMN1; SMN2L3MBTL1ALDH1A1TDP1
SCHEMBL2609326 0.69 CCR9 (0.40) PTK2SMN1; SMN2L3MBTL1ALDH1A1RAB9A
SCHEMBL21631946 0.68 SLC22A12 (0.38) PKMSMN1; SMN2ALDH1A1LMNA
SCHEMBL10831553 0.67 NFE2L2 (0.44) PTK2L3MBTL1ALDH1A1POLBMAPK1
SCHEMBL23535502 0.67 HDAC1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720865-B1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2014-12-31 EP disclosed
US-7723363-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE SA (FR) 2010-05-25 US disclosed
US-20070167491-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-07-19 US disclosed
EP-1720865-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-11-15 EP disclosed
WO-2005085238-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-09-15 WO disclosed
EP-1574511-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides Bayer CropScience S.A. (FR) 2005-09-14 EP 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-20070167491-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS PTK2 4349/4885PKM 503/4885S1PR3 1992/4885

“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.