SCHEMBL5629773

SCHEMBL5629773

Nc1nnc(-n2cccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
MAPK1 P28482 3/20 0.45
HSD17B10 Q99714 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 4/20 0.41
GFER P55789 1/20 0.41
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
FBP1 P09467 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8150666 0.75 LMNA (0.44) ALDH1A1MAPK1HSD17B10GAALMNA
SCHEMBL31201062 0.71 ALDH1A1 (0.42) ALDH1A1MAPK1HSD17B10GAALMNA
SCHEMBL14011323 0.69 SCN2A (0.62) ALDH1A1MAPK1HSD17B10GAALMNA
SCHEMBL17654176 0.67 ALDH1A1 (0.79) ALDH1A1MAPK1HSD17B10GAALMNA
SCHEMBL65180 0.64
SCHEMBL5199794 0.64 ALDH1A1 (0.96) ALDH1A1MAPK1HSD17B10GAALMNA
SCHEMBL17654100 0.62 ALDH1A1 (0.84) ALDH1A1MAPK1HSD17B10GAALMNA
SCHEMBL5631018 0.62 ALDH1A1 (1.00) ALDH1A1MAPK1HSD17B10GAALMNA
Ammonia Solution, Strong SCHEMBL28932717 0.61
SCHEMBL29393875 0.61

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
CN-104903320-A Nitrogen-containing heterocylic compound or salt thereof FUJIFILM CORP 2015-09-09 CN disclosed
US-7208629-B2 5′-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-04-24 US disclosed
US-20040267012-A1 5'-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 US disclosed
EP-1435936-A1 5'-CARBAMOYL-1,1-BIPHENYL-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032972-A1 5’-CARBAMOYL-1,1-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO 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-20040267012-A1 5'-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK4, GRK4, NR4A1 ALDH1A1 3640/4885MAPK1 6/4885HSD17B10 2271/4885

“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.