SCHEMBL4691830

SCHEMBL4691830

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.39
CDK2 P24941 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
CNR1 P21554 4/20 0.36
CNR2 P34972 3/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA2 P47869 1/20 0.35
KDM4D Q6B0I6 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5230928 0.83 KDM4D (0.43) CSNK2A1KDM4EALDH1A1CDK2LMNA
SCHEMBL14257394 0.82 CSNK2A1 (0.42) CSNK2A1KDM4EALDH1A1CDK2LMNA
SCHEMBL4691853 0.81 CSNK2A1 (0.44) CSNK2A1KDM4EALDH1A1CDK2LMNA
SCHEMBL14374440 0.81 HTT (0.45) CSNK2A1KDM4EALDH1A1LMNAPOLB
SCHEMBL5594559 0.80 CSNK2A1 (0.43) CSNK2A1KDM4EALDH1A1CDK2LMNA
SCHEMBL14463731 0.80 CDK2 (0.42) CSNK2A1KDM4EALDH1A1CDK2HPGD
SCHEMBL4690562 0.80 CDK2 (0.42) CSNK2A1KDM4EALDH1A1CDK2LMNA
SCHEMBL5240772 0.80 KDM4E (0.39) CSNK2A1KDM4EALDH1A1CDK2LMNA
SCHEMBL5234918 0.79 GRM2 (0.33) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4695582 0.77 CSNK2A1 (0.39) CSNK2A1KDM4EALDH1A1CDK2LMNA

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 25 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
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-1694679-A1 PYRAZOLOPYRIMIDINES AS FUNGICIDAL ACTIVE INGREDIENTS Bayer CropScience Aktiengesellschaft (DE) 2006-08-30 EP disclosed
EP-1694680-A1 PYRAZOLOPYRIMIDINES Bayer CropScience AG (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-2005056559-A1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-23 WO disclosed
WO-2005056556-A1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-23 WO disclosed
WO-2005056555-A1 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-23 WO disclosed
EP-1513843-A1 PYRAZOLOPYRIMIDINES AND THE USE THEREOF FOR CONTROLLING HARMFUL ORGANISMS Bayer CropScience AG (DE) 2005-03-16 EP disclosed
WO-2004000844-A1 PYRAZOLOPYRIMIDINES AND THE USE THEREOF FOR CONTROLLING HARMFUL ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-12-31 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-20060089499-A1 Pyrazolopyrimidines and the use thereof for controlling harmful organisms PRDX1, PRDX2, PRDX5 CSNK2A1 2382/4885KDM4E 3455/4885ALDH1A1 907/4885
US-20070197540-A1 Pyrazolopyrimidines QDPR, Q6ZSR9, RPLP2 CSNK2A1 2716/4885KDM4E 2820/4885ALDH1A1 1343/4885
US-20070244111-A1 Pyrazolopyrimidines Q6ZSR9, RPLP2, DPYD CSNK2A1 3066/4885KDM4E 3362/4885ALDH1A1 666/4885
US-20070259893-A1 microbicides, fungicides; 7-amino-pyrazolo(1,5-a)pyrimidines; controlling unwanted microorganisms PNPO, CYP4X1, CYP1B1 CSNK2A1 4793/4885KDM4E 1894/4885ALDH1A1 227/4885

“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.