SCHEMBL5377975

SCHEMBL5377975

Cc1nc(-c2ccncc2)cc(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 1.00
CDC7 O00311 4/20 0.50
ROCK2 O75116 2/20 0.50
MAP4K4 O95819 2/20 0.50
PIM1 P11309 2/20 0.50
PRKACA P17612 2/20 0.50
CDK2 P24941 2/20 0.50
HIPK2 Q9H2X6 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
IRAK4 Q9NWZ3 2/20 0.50
DBF4 Q9UBU7 2/20 0.50
DYRK3 O43781 1/20 0.50
CDK1 P06493 1/20 0.50
CSF1R P07333 1/20 0.50
MARK3 P27448 1/20 0.50
MAPK1 P28482 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
CLK2 P49760 1/20 0.50

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
SCHEMBL4748429 0.84 GSK3B (0.72) GSK3BXDHSMN1; SMN2
SCHEMBL4643669 0.84 GSK3B (0.72) GSK3BMAPK1XDHSMN1; SMN2
SCHEMBL5400045 0.81 GSK3B (0.69) GSK3BXDHSMN1; SMN2
SCHEMBL5377580 0.80 GSK3B (0.87) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5380569 0.79 GSK3B (0.73) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL5381098 0.79 XDH (0.72) GSK3BXDH
SCHEMBL5384159 0.78 GSK3B (0.64) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL3143657 0.78 GSK3B (0.64) GSK3BCDC7SMN1; SMN2
SCHEMBL5377691 0.78 GSK3B (1.00) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL3854866 0.78 SMN1; SMN2 (0.74) GSK3BCDC7ROCK2MAP4K4PIM1

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-11084793-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2021-08-10 US disclosed
US-20200231549-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-07-23 US disclosed
US-10654810-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-19 US disclosed
US-20180325900-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 QUANTIEL PHARMACEUTICALS, INC. 2018-11-15 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP disclosed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO disclosed
US-4725600-A Pyrimidine compounds having activity as a cardiotonic anti-hypertensive cerebrovascular vasodilator and anti-platelet aggregation agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0168262-A2 Pyrimidine derivatives, processes for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 EP 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-20200231549-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A GSK3B 1159/4885CDC7 905/4885ROCK2 1039/4885
US-10654810-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A GSK3B 1159/4885CDC7 905/4885ROCK2 1039/4885
US-11084793-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A GSK3B 1159/4885CDC7 905/4885ROCK2 1039/4885
US-20180325900-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A GSK3B 1159/4885CDC7 905/4885ROCK2 1039/4885

“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.