SCHEMBL24550073

SCHEMBL24550073

COC(=O)c1cc(C(F)(F)F)ncc1Nc1ccc(F)c(F)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ KCNQ4 P56696 1/20 0.35
▸ KCNQ5 Q9NR82 1/20 0.35
▸ SDHB P21912 1/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ KDR P35968 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
SCHEMBL24550624 0.88 DHODH (0.47) DHODH
Hydrochloric Acid SCHEMBL29722181 0.87 DHODH (0.46) DHODH
Hydrochloric Acid SCHEMBL29073606 0.87 DHODH (0.46) DHODH
SCHEMBL30824142 0.84 MAPK10 (0.40) MAPK10
SCHEMBL24550843 0.84 MAPK10 (0.40) MAPK10
SCHEMBL24549979 0.81 LMNA (0.39) DHODHJAK2JAK1TYK2PDE4D
SCHEMBL24550099 0.81 KCNQ3 (0.39) SCN10AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL30824157 0.81 KCNQ3 (0.39) SCN10AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22853086 0.81 CFTR (0.50) DHODHSCN10ACFTRSOS1
SCHEMBL24551013 0.80 P2RX7 (0.41) DHODHSCN10AMAPK10KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-03-14 — — US 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 DHODH 828/4885JAK2 1715/4885JAK1 3449/4885

“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.

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