SCHEMBL728643

SCHEMBL728643

COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)[nH]c2c1OCCCn1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.49
SRC P12931 1/20 0.45
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL728928 0.91 MEN1 (0.43) SRCKDM4ELMNAALDH1A1MEN1
SCHEMBL731038 0.89 KMT2A (0.43) PDE4BLMNAALDH1A1MEN1TP53
SCHEMBL730891 0.88 MEN1 (0.45) PDE4BLMNAALDH1A1MEN1TP53
SCHEMBL729366 0.88 MEN1 (0.45) PDE4BLMNAALDH1A1MEN1TP53
SCHEMBL728518 0.84 PDE4B (0.57) PDE4B
SCHEMBL726178 0.84 PDE4B (0.54) PDE4B
SCHEMBL729258 0.84 PDE4B (0.51) PDE4BSRC
SCHEMBL730484 0.84 PDE4B (0.55) PDE4B
SCHEMBL730890 0.84 PDE4B (0.56) PDE4B
SCHEMBL730552 0.83 PDE4B (0.50) PDE4BSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP claimed
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO claimed
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-02-21 US disclosed
EP-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP disclosed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 US disclosed
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 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 (2 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-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885SRC 3951/4885POLB 2106/4885
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885SRC 3951/4885POLB 2106/4885

“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.