SCHEMBL4499369

SCHEMBL4499369

Cc1nnc(-c2cnn3c(Cl)c(-c4ccc(F)cc4Cl)c(Cl)nc23)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
HSD11B1 P28845 2/20 0.36
NPC1 O15118 4/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE2A O00408 3/20 0.33
PDE10A Q9Y233 3/20 0.33
PDE6D O43924 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 0.33
PDE6B P35913 1/20 0.33
PDE6C P51160 1/20 0.33
PDE6H Q13956 1/20 0.33
POLB P06746 1/20 0.33
STAT1 P42224 1/20 0.32
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 3/20 0.32

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
SCHEMBL4510395 0.84 HSD11B1 (0.34) RAB9AMEN1KMT2AHSD11B1NPC1
SCHEMBL4518298 0.79 RAB9A (0.39) RAB9AMEN1KMT2AHSD11B1NPC1
SCHEMBL5234918 0.76 GRM2 (0.33) RAB9AMEN1KMT2AHSD11B1NPC1
SCHEMBL4499081 0.74 GPR39 (0.46) RAB9AMEN1KMT2AHSD11B1NPC1
SCHEMBL4691830 0.73 CSNK2A1 (0.46) RAB9AMEN1KMT2AKDM4EPOLB
SCHEMBL5420498 0.66 KMT2A (0.47) MEN1KMT2AHSD11B1KDM4EPDE2A
SCHEMBL25177371 0.63 KDM4E (0.54) RAB9AKMT2ANPC1KDM4EMAPT
SCHEMBL4503405 0.63 NOTUM (0.36) RAB9AMEN1KMT2AHSD11B1NPC1
SCHEMBL3716845 0.63 ALDH1A1 (0.48) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL419541 0.63 HSD11B1 (0.51) RAB9AMEN1KMT2AHSD11B1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
EP-1718652-A2 PYRAZOLOPYRIMIDINES FOR COMBATTING UNWANTED MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-11-08 EP disclosed
WO-2005082907-A2 PYRAZOLOPYRIMIDINES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2005-09-09 WO disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 US 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 (1 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-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 RAB9A 2226/4885MEN1 2381/4885KMT2A 3755/4885

“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.