SCHEMBL4397349

SCHEMBL4397349

N#Cc1cccc(/C(Cl)=N/O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.49
▸ ENPP2 Q13822 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ GRM5 P41594 3/20 0.39
▸ GRIN2D O15399 2/20 0.38
▸ GRIN3B O60391 2/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2A Q12879 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ GRIN2C Q14957 2/20 0.38
▸ GRIN3A Q8TCU5 2/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ P4HB P07237 1/20 0.37
▸ VNN1 O95497 1/20 0.37

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
SCHEMBL31204043 1.00 GSK3B (0.49) GSK3BENPP2CLK4IRAK4FBP1
SCHEMBL11423965 1.00 GSK3B (0.49) GSK3BENPP2CLK4IRAK4FBP1
SCHEMBL4397352 1.00 GSK3B (0.49) GSK3BENPP2CLK4IRAK4FBP1
SCHEMBL15338690 0.81 CYP1A1 (0.37) GSK3B
SCHEMBL10761499 0.78 GSK3B (0.53) GSK3BENPP2CLK4IRAK4GRM5
SCHEMBL10761496 0.78 GSK3B (0.53) GSK3BENPP2CLK4IRAK4GRM5
SCHEMBL1421297 0.78 GSK3B (0.49) GSK3BENPP2CLK4IRAK4GRM5
SCHEMBL16572029 0.78 GSK3B (0.49) GSK3BENPP2CLK4IRAK4GRM5
SCHEMBL17134105 0.78 GSK3B (0.49) GSK3BENPP2CLK4IRAK4GRM5
SCHEMBL1421298 0.78 GSK3B (0.49) GSK3BENPP2CLK4IRAK4GRM5

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 — — US disclosed
EP-4522608-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 — — EP disclosed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 — — WO disclosed
US-11028072-B2 2,4-diamino-6-ethylpyrimidine derivatives with antimalarial activities against Plasmodium falciparum NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2021-06-08 — — US disclosed
US-20200239445-A1 2,4-DIAMINO-6-ETHYLPYRIMIDINE DERIVATIVES WITH ANTIMALARIAL ACTIVITIES AGAINST PLASMODIUM FALCIPARUM NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2020-07-30 — — US disclosed
WO-2017052479-A1 2,4-DIAMINO-6-ETHYLPYRIMIDINE DERIVATIVES WITH ANTIMALARIAL ACTIVITIES AGAINST PLASMODIUM FALCIPARUM NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2017-03-30 — — WO disclosed
US-8383658-B2 Isoxazole based neuronal nicotinic receptor ligands and methods of use ABBOTT LABORATORIES (US) 2013-02-26 — — US disclosed
US-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof ABBOTT LABORATORIES (US) 2009-12-10 — — US disclosed
WO-2009149135-A1 BIS (HETERO ) ARYL SUBSTITUTED ISOXAZOLES FOR USE AS NEURONAL NICOTINIC RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2009-12-10 — — WO disclosed
US-20080312240-A1 Bicyclic Piperazines as Metabotropic Glutatmate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 — — US disclosed
US-20080312240-A1 Bicyclic Piperazines as Metabotropic Glutatmate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 — — US disclosed
EP-1919911-A1 BICYCLIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2008-05-14 — — EP disclosed
WO-2007021574-A1 BICYCLIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 — — WO disclosed
WO-2007021574-A1 BICYCLIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 — — WO disclosed
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 — — US disclosed
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 — — US disclosed
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 — — US disclosed
US-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance ABBOTT LABORATORIES 2006-07-27 — — US disclosed
EP-1328534-A2 6-O-SUBSTITUTED ERYTHROMYCIN DERIVATIVES HAVING IMPROVED GASTROINTESTINAL TOLERANCE Abbott Laboratories (US) 2003-07-23 — — EP disclosed
WO-2002032919-A2 6-O-SUBSTITUTED ERYTHROMYCIN DERIVATIVES HAVING IMPROVED GASTROINTESTINAL TOLERANCE ABBOTT LABORATORIES (US) 2002-04-25 — — 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 (7 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-20080312240-A1 Bicyclic Piperazines as Metabotropic Glutatmate Receptor Antagonists GRM5, GRM1, GRIN1 GSK3B 3401/4885ENPP2 1475/4885CLK4 2886/4885
US-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof XDH, PRDX5, CYP4X1 GSK3B 1320/4885ENPP2 308/4885CLK4 2630/4885
US-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance CYP2D6, CYP2B6, UGT1A6 GSK3B 3734/4885ENPP2 3006/4885CLK4 4702/4885
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB GSK3B 522/4885ENPP2 1143/4885CLK4 1923/4885
US-11028072-B2 2,4-diamino-6-ethylpyrimidine derivatives with antimalarial activities against Plasmodium falciparum DHFR, DPYD, DHODH GSK3B 4432/4885ENPP2 653/4885CLK4 3672/4885
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists GRM5, GRM1, GRIN1 GSK3B 3401/4885ENPP2 1475/4885CLK4 2886/4885
US-20200239445-A1 2,4-DIAMINO-6-ETHYLPYRIMIDINE DERIVATIVES WITH ANTIMALARIAL ACTIVITIES AGAINST PLASMODIUM FALCIPARUM DHFR, DPYD, DHODH GSK3B 4432/4885ENPP2 653/4885CLK4 3672/4885

“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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