SCHEMBL2972015

SCHEMBL2972015

ClCCOc1ccc2occc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.47
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.43
SIGMAR1 Q99720 10/20 0.43
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.41
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL17541115 0.83 CA12 (0.50) CHRNB4CHRNA3CHRNA7MRGPRX4MAOB
SCHEMBL827016 0.83 CHRNB4 (0.56) CHRNB4CHRNA3CHRNA7MRGPRX4MAOB
SCHEMBL3541660 0.83 CHRNB4 (0.56) CHRNB4CHRNA3CHRNA7MRGPRX4MAOB
SCHEMBL14359475 0.79 KCNA3 (0.48) MRGPRX4MAOBMAOASIGMAR1CA2
SCHEMBL17541039 0.79 KDM4E (0.51) CHRNB4CHRNA3CHRNA7MRGPRX4MAOB
SCHEMBL27767737 0.79 MAOB (0.68) MAOBMAOASIGMAR1ACHEBCHE
SCHEMBL7693072 0.79 MRGPRX4 (0.50) CHRNB4CHRNA3CHRNA7MRGPRX4MAOB
SCHEMBL3791638 0.79 CA2 (0.51) CHRNB4CHRNA3CHRNA7MRGPRX4CA2
SCHEMBL28618849 0.79 MRGPRX4 (0.49) CHRNB4CHRNA3CHRNA7MRGPRX4MAOB
SCHEMBL17338661 0.78 MAOA (0.67) CHRNB4CHRNA3CHRNA7MRGPRX4MAOB

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 5 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
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP 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

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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 CHRNB4 2213/4885CHRNA3 1106/4885CHRNA7 1057/4885

“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.