SCHEMBL4777572

SCHEMBL4777572

N#CCc1csc(C(N)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GABRA5 P31644 1/20 0.35
GABRB2 P47870 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAP3K14 Q99558 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 1/20 0.31
HTR2B P41595 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 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
SCHEMBL27045168 0.83 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AGABRA5GABRB2
SCHEMBL4911470 0.78 KMT2A (0.39) ALDH1A1MEN1KMT2AGABRA5GABRB2
SCHEMBL5988033 0.77 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2AGABRA5GABRB2
SCHEMBL17717276 0.77 KMT2A (0.44) ALDH1A1MEN1KMT2AGABRA5GABRB2
SCHEMBL2745279 0.77 GABRA5 (0.46) ALDH1A1MEN1KMT2AGABRA5GABRB2
SCHEMBL6918964 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL11130654 0.75 HSD17B10 (0.62) ALDH1A1MEN1KMT2AGABRA5GABRB2
SCHEMBL17977280 0.74 MEN1 (0.37) ALDH1A1MEN1KMT2AGABRA5GABRB2
SCHEMBL29528876 0.74 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGABRA5GABRB2
SCHEMBL4777182 0.73 MYC (0.38) HSD17B10CYP3A4CYP2D6CYP2C9SCN9A

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-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
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 1349/4885MEN1 3576/4885KMT2A 429/4885

“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.