SCHEMBL4119280

SCHEMBL4119280

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(C3CCS(O)(O)CC3)c2=O)CC1)c1cn2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
KDM4E B2RXH2 4/20 0.40
PDE4B Q07343 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
GLA P06280 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR55 Q9Y2T6 3/20 0.40
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 2/20 0.34
TNKS2 Q9H2K2 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
SCHEMBL4119273 1.00 TNKS (0.46) TNKSNPC1RAB9AKDM4EPDE4B
SCHEMBL4119276 0.94 TNKS (0.46) TNKSNPC1RAB9AKDM4EPDE4B
SCHEMBL870724 0.94 TNKS (0.49) TNKSNPC1RAB9AKDM4EPDE4B
SCHEMBL869972 0.94 TNKS (0.49) TNKSNPC1RAB9AKDM4EPDE4B
SCHEMBL4107471 0.91 PDE4B (0.49) TNKSNPC1RAB9AKDM4EPDE4B
SCHEMBL4107473 0.91 PDE4B (0.49) TNKSNPC1RAB9AKDM4EPDE4B
SCHEMBL4105927 0.90 TNKS (0.46) TNKSNPC1RAB9AKDM4EPDE4B
SCHEMBL4105931 0.90 TNKS (0.46) TNKSNPC1RAB9AKDM4EPDE4B
SCHEMBL4103988 0.89 PDE4B (0.46) TNKSNPC1RAB9AKDM4EPDE4B
SCHEMBL4103986 0.89 PDE4B (0.46) TNKSNPC1RAB9AKDM4EPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors ASTRAZENECA AB (SE) 2009-09-17 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-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors PDE4A, PDE4B, PDE12 TNKS 1055/4885NPC1 3977/4885RAB9A 2112/4885

“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.