SCHEMBL4691853

SCHEMBL4691853

N#Cc1cnn2c(O)c(-c3ccc(F)cc3Cl)c(O)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.44
KDM4E B2RXH2 4/20 0.43
CDK2 P24941 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA2 P47869 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
CNR1 P21554 3/20 0.33

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
SCHEMBL14257394 0.89 CSNK2A1 (0.42) CSNK2A1KDM4ECDK2ALDH1A1HPGD
SCHEMBL4691830 0.81 CSNK2A1 (0.46) CSNK2A1KDM4ECDK2ALDH1A1HPGD
SCHEMBL4503405 0.77 NOTUM (0.36) KDM4EPOLBMEN1KMT2A
SCHEMBL4491443 0.76 GPR39 (0.45) LMNAMEN1KMT2A
SCHEMBL5324293 0.75 KDM4E (0.43) CSNK2A1KDM4ECDK2ALDH1A1HPGD
SCHEMBL4510395 0.75 HSD11B1 (0.34) KDM4EPOLBMEN1KMT2A
SCHEMBL14463731 0.74 CDK2 (0.42) CSNK2A1KDM4ECDK2ALDH1A1HPGD
SCHEMBL5239519 0.73 PDE10A (0.38) KDM4ECDK2CNR2
SCHEMBL14374440 0.73 HTT (0.45) CSNK2A1KDM4EALDH1A1HPGDMAPK1
SCHEMBL18863632 0.73 CSNK2A1 (0.44) CSNK2A1KDM4ECDK2ALDH1A1HPGD

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
EP-1694681-B1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2008-03-12 EP disclosed
EP-1697372-B1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2007-12-19 EP disclosed
EP-1697372-B1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2007-12-19 EP disclosed
US-20070259893-A1 microbicides, fungicides; 7-amino-pyrazolo(1,5-a)pyrimidines; controlling unwanted microorganisms BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-11-08 US disclosed
US-20070259893-A1 microbicides, fungicides; 7-amino-pyrazolo(1,5-a)pyrimidines; controlling unwanted microorganisms BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-11-08 US disclosed
US-20070259893-A1 microbicides, fungicides; 7-amino-pyrazolo(1,5-a)pyrimidines; controlling unwanted microorganisms BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-11-08 US disclosed
US-20070244111-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-10-18 US disclosed
US-20070244111-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-10-18 US disclosed
US-20070244111-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-10-18 US disclosed
US-20070197540-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
US-20070197540-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
EP-1513843-B1 PYRAZOLOPYRIMIDINES AND THE USE THEREOF FOR CONTROLLING HARMFUL ORGANISMS BAYER CROPSCIENCE AG (DE) 2007-07-04 EP disclosed
US-20060276478-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2006-12-07 US disclosed
EP-1694680-A1 PYRAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2006-08-30 EP disclosed
EP-1694679-A1 PYRAZOLOPYRIMIDINES AS FUNGICIDAL ACTIVE INGREDIENTS Bayer CropScience Aktiengesellschaft (DE) 2006-08-30 EP disclosed
EP-1694681-A1 PYRAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2006-08-30 EP disclosed
US-20060089499-A1 Pyrazolopyrimidines and the use thereof for controlling harmful organisms UWW VENTURES UNLIMITED (GB) 2006-04-27 US disclosed
WO-2005056558-A1 PYRAZOLOPYRIMIDINES AS FUNGICIDAL ACTIVE INGREDIENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-23 WO disclosed
WO-2005056556-A1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-23 WO disclosed
WO-2005056559-A1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-23 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 (5 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-20060089499-A1 Pyrazolopyrimidines and the use thereof for controlling harmful organisms PRDX1, PRDX2, PRDX5 CSNK2A1 2382/4885KDM4E 3455/4885CDK2 154/4885
US-20070197540-A1 Pyrazolopyrimidines QDPR, Q6ZSR9, RPLP2 CSNK2A1 2716/4885KDM4E 2820/4885CDK2 117/4885
US-20070244111-A1 Pyrazolopyrimidines Q6ZSR9, RPLP2, DPYD CSNK2A1 3066/4885KDM4E 3362/4885CDK2 200/4885
US-20070259893-A1 microbicides, fungicides; 7-amino-pyrazolo(1,5-a)pyrimidines; controlling unwanted microorganisms PNPO, CYP4X1, CYP1B1 CSNK2A1 4793/4885KDM4E 1894/4885CDK2 1161/4885
US-20060276478-A1 Pyrazolopyrimidines Q6ZSR9, RPLP2, DPYD CSNK2A1 3066/4885KDM4E 3362/4885CDK2 200/4885

“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.