SCHEMBL4690562

SCHEMBL4690562

CC(Nc1c(-c2ccc(F)cc2Cl)c(Cl)nc2c(C#N)cnn12)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.42
PDE2A O00408 2/20 0.40
CSNK2A1 P68400 5/20 0.37
KDM4E B2RXH2 4/20 0.37
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA2 P47869 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CSNK2A2 P19784 1/20 0.30
JAK3 P52333 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL14463731 0.93 CDK2 (0.42) CDK2PDE2ACSNK2A1KDM4EGABRA1
SCHEMBL4507666 0.86 GSK3B (0.36) CDK2MAPKAPK2CNR1CNR2
SCHEMBL14340722 0.85 KDM4E (0.42) CDK2PDE2ACSNK2A1KDM4EGABRA1
SCHEMBL4692686 0.83 SCN10A (0.31)
SCHEMBL4693069 0.82 PDE2A (0.41) CDK2PDE2ACSNK2A1KDM4EGABRA1
SCHEMBL13606351 0.82 JAK2 (0.43) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL4499049 0.82 SCN10A (0.33)
SCHEMBL4489875 0.82 ADAM17 (0.32)
SCHEMBL13606354 0.81 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13606357 0.80 JAK2 (0.35) KDM4EALDH1A1HPGDHSD17B10JAK3

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 11 patents. 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-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
US-20070197540-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
US-20060276478-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2006-12-07 US 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-2005056556-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 (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 CDK2 154/4885PDE2A 1181/4885CSNK2A1 2382/4885
US-20070197540-A1 Pyrazolopyrimidines QDPR, Q6ZSR9, RPLP2 CDK2 117/4885PDE2A 1118/4885CSNK2A1 2716/4885
US-20070259893-A1 microbicides, fungicides; 7-amino-pyrazolo(1,5-a)pyrimidines; controlling unwanted microorganisms PNPO, CYP4X1, CYP1B1 CDK2 1161/4885PDE2A 493/4885CSNK2A1 4793/4885
US-20060276478-A1 Pyrazolopyrimidines Q6ZSR9, RPLP2, DPYD CDK2 200/4885PDE2A 1630/4885CSNK2A1 3066/4885

“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.