SCHEMBL29722018

SCHEMBL29722018

CCOC(=O)c1nc(C(F)(F)F)cnc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 7/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 4/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
HSP90AA1 P07900 1/20 0.42
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR9 Q9NR96 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL24550855 1.00 KDM4E (0.53) KDM4EIDO1ALDH1A1HTTCYP1A2
SCHEMBL30206120 0.90 KDM4E (0.52) KDM4EIDO1ALDH1A1HTTCYP1A2
SCHEMBL2371415 0.90 KDM4E (0.52) KDM4EIDO1ALDH1A1HTTCYP1A2
SCHEMBL7449098 0.85 KDM4E (0.44) KDM4EALDH1A1HTTCYP1A2HPGD
SCHEMBL30852200 0.83 NPSR1 (0.42) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL27313510 0.83 NPSR1 (0.42) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL1761085 0.80 ALDH1A1 (0.49) KDM4EALDH1A1HTTCYP1A2HPGD
SCHEMBL5621275 0.78 ALDH1A1 (0.47) KDM4EALDH1A1HTTCYP1A2HPGD
SCHEMBL3863388 0.78 ATR (0.39)
SCHEMBL27976390 0.77 P2RX7 (0.46)

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
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
US-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-03-14 US disclosed
EP-4263540-A1 NITROGEN CONTAINING 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-10-25 EP disclosed
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 WO disclosed
WO-2022129281-A1 NITROGEN CONTAINING 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-06-23 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-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors SCN8A, SCN1A, SCN2A KDM4E 2568/4885IDO1 4262/4885ALDH1A1 1362/4885

“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.