SCHEMBL22506702

SCHEMBL22506702

Cn1nc2cc(F)c(F)cc2c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 4/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK8 P49336 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32

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
SCHEMBL22536415 0.83 PDK1 (0.40) PDK1PDK2MAPTL3MBTL1POLB
SCHEMBL5074428 0.75 ESR1 (0.40) MAPTL3MBTL1POLBTDP1HCAR3
SCHEMBL9388063 0.75 KDM4E (0.43) MAPTL3MBTL1POLBKDM4EMEN1
Methane SCHEMBL27712687 0.73 ESR1 (0.39) MAPTL3MBTL1POLBTDP1HCAR3
SCHEMBL4730929 0.73 CDK5 (0.41) L3MBTL1CHEK1AURKACSNK1A1CDK8
SCHEMBL9389609 0.73 KDM4C (0.50) L3MBTL1POLBTDP1MEN1KMT2A
SCHEMBL2133297 0.73 KDM4C (0.45) MAPTKDM4EKDM4CALDH1A1
SCHEMBL13106185 0.72 CHRM4 (0.39) PDK1PDK2ALOX15CHRM4
SCHEMBL1563562 0.71 KDM5A (0.48) MAPTKDM4ECHEK1AURKACSNK1A1
SCHEMBL3131503 0.71 KDM4C (0.52) POLBKDM4EMEN1KMT2AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070910-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2026-03-12 US disclosed
US-20240300952-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2024-09-12 US disclosed
CN-111655692-B Nitrogen-containing heterocyclic amide compound and medical application thereof 日本烟草产业株式会社 2023-10-10 CN disclosed
US-20210284644-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2021-09-16 US disclosed
US-20210284644-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2021-09-16 US disclosed
EP-3747888-A1 NITROGENATED HETEROCYCLIC AMIDE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco Inc. (JP) 2020-12-09 EP disclosed
US-10800784-B2 Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2020-10-13 US disclosed
US-10800784-B2 Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2020-10-13 US disclosed
CN-111655692-A Nitrogen-containing heterocyclic amide compound and medical application thereof 日本烟草产业株式会社 2020-09-11 CN disclosed
WO-2019151274-A1 NITROGENATED HETEROCYCLIC AMIDE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES 日本たばこ産業株式会社 2019-08-08 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 (4 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-10800784-B2 Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof IDH2, PC, FH PDK1 52/4885PDK2 9/4885MAPT 992/4885
US-20240300952-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF IDH2, PC, FH PDK1 52/4885PDK2 9/4885MAPT 992/4885
US-20210284644-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF IDH2, PC, FH PDK1 52/4885PDK2 9/4885MAPT 992/4885
US-20260070910-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF PC, CS, IDH2 PDK1 54/4885PDK2 37/4885MAPT 2243/4885

“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.