SCHEMBL4820848

SCHEMBL4820848

O=C(O)c1cncc(-c2ccc(F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CHEK1 O14757 3/20 0.45
CA12 O43570 1/20 0.45
ALPL P05186 1/20 0.45
RPA1 P27694 1/20 0.45
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SCN9A Q15858 3/20 0.43
MEN1 O00255 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
CDC25C P30307 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SCN2A Q99250 3/20 0.42
SCN10A Q9Y5Y9 3/20 0.42
MCL1 Q07820 1/20 0.41

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
SCHEMBL31118894 0.84 CHEK1 (0.51) CHEK1CA12ALPLALDH1A1SCN2A
SCHEMBL319106 0.84 CHEK1 (0.50) CHEK1KDM4EALDH1A1SCN10AMCL1
SCHEMBL31020328 0.83 SCN10A (0.58) NPC1CHEK1CA12ALPLKDM4E
SCHEMBL31301361 0.83 SCN10A (0.51) CHEK1ALPLALDH1A1SCN2ASCN10A
SCHEMBL31301356 0.82 PARP1 (0.44) CHEK1SCN9ASCN10A
SCHEMBL31301419 0.82 CHEK1 (0.42) CHEK1SCN2ASCN10AMCL1DGAT1
SCHEMBL24994724 0.81 NPC1 (0.54) NPC1CHEK1KDM4EALDH1A1MEN1
SCHEMBL24993572 0.81 SCN10A (0.50) SCN9AMEN1CDC25ACDC25BCDC25C
SCHEMBL16489091 0.79 ATR (0.60) SCN9ASCN2ASCN10APTPN1PTPN6
SCHEMBL24499968 0.79 CHEK1 (0.73) NPC1RXFP1CHEK1ALPLKDM4E

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
WO-2022117920-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER ORION CORPORATION (FI) 2022-06-09 WO disclosed
US-7432289-B2 5-Acylamino-1,1′-biphenyl-4-carboxamide derivatives and their use as P38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2008-10-07 US disclosed
US-20040242868-A1 5-acylamino-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 US disclosed
EP-1435934-A1 5'-ACYLAMINO-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032971-A1 5’-ACYLAMINO-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-20040242868-A1 5-acylamino-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK1, MAP3K1, MAPK7 NPC1 1611/4885RXFP1 1855/4885CHEK1 564/4885

“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.