SCHEMBL2984152

SCHEMBL2984152

N#CCC(=O)Cc1cccc(OCCCl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.42
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR4A2 P43354 2/20 0.38
KMT2A Q03164 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
GUSB P08236 1/20 0.37
FFAR1 O14842 1/20 0.36
MMP3 P08254 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL4594957 0.80 CTBP2 (0.54) HTTKMT2A
SCHEMBL2768937 0.80 PLA2G4B (0.56) PLA2G4BKMT2AFFAR1CYP4F2CYP4A11
SCHEMBL31570778 0.79 NR1H3 (0.47) PLA2G4BMAPK1L3MBTL1TSHRTDP1
SCHEMBL29249938 0.78 MMP3 (0.44) TDP1KMT2AFFAR1MMP3CYP4F2
SCHEMBL2768717 0.76 SLC7A5 (0.48) PLA2G4BHTTMAPK1L3MBTL1TSHR
SCHEMBL18148828 0.75 CTBP2 (0.51) HTTNR4A2KMT2AMAOB
SCHEMBL8147646 0.74 L3MBTL1 (0.53) PLA2G4BMAPK1L3MBTL1TSHRTDP1
SCHEMBL2768059 0.74 PLA2G4B (0.60) PLA2G4BKMT2AFFAR1CYP4F2CYP4A11
SCHEMBL16959700 0.73 TSHR (0.50) MAPK1L3MBTL1TSHRTDP1MRGPRX4
SCHEMBL5271770 0.72 PLA2G4B (0.55) PLA2G4BKMT2AGUSBCYP4F2CYP4A11

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
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed
CN-101466678-B Substituted 3-cyanopyridines as protein kinase inhibitors WYETH CORP 2012-12-26 CN disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
CN-101466678-A Substituted 3-cyanopyridines as protein kinase inhibitors WYETH CORP (US) 2009-06-24 CN disclosed
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP disclosed
EP-2027093-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-02-25 EP disclosed
WO-2007146323-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US disclosed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 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 (2 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 PLA2G4B 3386/4885HTT 4257/4885HSD17B10 4485/4885
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 PLA2G4B 3623/4885HTT 4209/4885HSD17B10 4631/4885

“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.