SCHEMBL4796110

SCHEMBL4796110

N#CCn1ccc(C(N)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.34
KMT2A Q03164 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 7/20 0.33
NPC1 O15118 6/20 0.33
MEN1 O00255 1/20 0.32
SCN9A Q15858 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
CA5A P35218 1/20 0.31
MAPT P10636 1/20 0.31
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30

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
SCHEMBL31537093 0.84 SMN1; SMN2 (0.48) ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A
SCHEMBL23987078 0.83 NPC1 (0.35) ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A
SCHEMBL23705472 0.79 KMT2A (0.53) ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A
SCHEMBL4324414 0.77 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A
SCHEMBL2661100 0.77 KDM4C (0.42) ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A
SCHEMBL19253464 0.76 CYP1A2 (0.45) ALDH1A1CYP1A2CYP2C9KMT2ACYP2D6
SCHEMBL2661462 0.75 KDM4C (0.41) ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A
SCHEMBL17076692 0.74 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A
SCHEMBL2361631 0.74 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL1081304 0.74 KDM4C (0.40) ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
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 ALDH1A1 1349/4885CYP1A2 1977/4885CYP2C9 2802/4885

“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.