SCHEMBL4775928

SCHEMBL4775928

Cc1cc(-c2cccc(C#N)c2)cc(C(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.54
PIN1 Q13526 1/20 0.54
GRM5 P41594 2/20 0.54
XDH P47989 1/20 0.51
SLC22A12 Q96S37 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.44
KDM5A P29375 1/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
PIK3CA P42336 1/20 0.43
GRK6 P43250 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4772289 0.84 MCL1 (0.44) SLC22A12ABCG2KDM5A
SCHEMBL31663577 0.83 CLK4 (0.53) F11PIN1GRM5ABCG2
SCHEMBL5604793 0.83 CLK4 (0.53) F11PIN1GRM5ABCG2
SCHEMBL4775974 0.81 CYP11B2 (0.42) F11PIN1XDHSLC22A12
SCHEMBL4779457 0.78 KMO (0.51) PIN1GRM5
SCHEMBL4775929 0.78 MCL1 (0.38) SMN1; SMN2
SCHEMBL1795533 0.78 GRM5 (0.57) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL3090482 0.77 ALOX15 (0.41) F11PIN1GRM5NPC1RAB9A
SCHEMBL4776002 0.77 MYC (0.50) GRM5XDHABCG2KDM5ASMN1; SMN2
SCHEMBL4772052 0.77 ALOX15 (0.46) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
CN-101384554-B Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE 2012-08-08 CN disclosed
CN-101384554-A Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 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-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 F11 3718/4885PIN1 3693/4885GRM5 6/4885

“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.