SCHEMBL4113239

SCHEMBL4113239

COc1ccccc1CNC(=O)N1CCN(c2nc(CCl)nc3ccc(-c4ccc(F)cc4)nc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
KIT P10721 5/20 0.42
NPC1 O15118 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HTR7 P34969 1/20 0.40
GRIN2B Q13224 1/20 0.39

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
SCHEMBL4113600 0.91 P2RY12 (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4102987 0.90 TP53 (0.43) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL4114292 0.90 TP53 (0.42) PDE4APDE4BPDE4CPDE4DPKM
SCHEMBL4107969 0.89 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL4122502 0.88 TP53 (0.54) PDGFRBPDGFRAMEN1KMT2ATP53
SCHEMBL4114426 0.87 KIT (0.54) PDGFRBPDGFRAMAPTTP53LMNA
SCHEMBL4101956 0.86 KIT (0.58) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL4108871 0.86 KIT (0.49) PDGFRBPDGFRATP53KIT
SCHEMBL4113558 0.85 KIT (0.49) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4114339 0.84 P2RY12 (0.47) PDGFRBPDGFRATP53LMNAKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (3 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE4A 112/4885PDE4B 313/4885PDE4C 158/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE4A 112/4885PDE4B 313/4885PDE4C 158/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PDE4A 112/4885PDE4B 313/4885PDE4C 158/4885

“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.