SCHEMBL19692183

SCHEMBL19692183

O=C(O)c1cc2cccnc2n(Cc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.57
CNR2 P34972 8/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.53
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
ATM Q13315 2/20 0.42
KCNH2 Q12809 1/20 0.42
P2RX3 P56373 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL1372681 0.86 CNR1 (0.66) CNR1CNR2PTGDR2KDM4ECYP1A2
Hydrochloric Acid SCHEMBL1373638 0.84 CNR1 (0.65) CNR1CNR2PTGDR2KDM4ECYP1A2
SCHEMBL19709884 0.78 CNR1 (0.53) CNR1CNR2KCNH2KMT2A
SCHEMBL1373635 0.77 CNR1 (0.65) CNR1CNR2PTGDR2KDM4ECYP1A2
SCHEMBL1372532 0.74 CNR2 (0.47) CNR1CNR2
SCHEMBL1375392 0.73 MAPT (0.51) CNR1CNR2KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL1376586 0.73 CNR2 (0.46) CNR1CNR2
SCHEMBL16236683 0.73 CNR1 (0.57) CNR1CNR2KCNH2
Hydrochloric Acid SCHEMBL1374910 0.73 MAPT (0.50) CNR1CNR2KDM4EMEN1KMT2A
SCHEMBL3516336 0.72 AHR (0.44) CNR1CNR2KDM4ECYP3A4

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
US-20190160049-A1 2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE AS DUAL INHIBITORS OF PDK1/AURA INTERNATIONAL SOCIETY FOR DRUG DEVELOPMENT S.R.L. (IT) 2019-05-30 US disclosed
US-20190160049-A1 2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE AS DUAL INHIBITORS OF PDK1/AURA INTERNATIONAL SOCIETY FOR DRUG DEVELOPMENT S.R.L. (IT) 2019-05-30 US disclosed
EP-3468556-A1 2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE AS DUAL INHIBITORS OF PDK1/AURA International Society for Drug Development S.r.l. (IT) 2019-04-17 EP disclosed
WO-2017211946-A1 2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE AS DUAL INHIBITORS OF PDK1/AURA INTERNATIONAL SOCIETY FOR DRUG DEVELOPMENT S.R.L. (IT) 2017-12-14 WO disclosed
WO-2017211946-A1 2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE AS DUAL INHIBITORS OF PDK1/AURA INTERNATIONAL SOCIETY FOR DRUG DEVELOPMENT S.R.L. (IT) 2017-12-14 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-20190160049-A1 2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE AS DUAL INHIBITORS OF PDK1/AURA PDK1, PDK2, PDK3 CNR1 2571/4885CNR2 1885/4885PTGDR2 1649/4885

“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.