SCHEMBL2847047

SCHEMBL2847047

COC(=O)C(C)(C)C(=O)c1ccc(OC)n2nc(C(F)(F)F)nc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.44
PDE3A Q14432 2/20 0.44
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM5 P41594 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3237354 0.80 PDE4B (0.46) PDE4BPDE3AALDH1A1KMT2AKDM4E
SCHEMBL2846506 0.77 PDE4B (0.42) PDE4BPDE3AALDH1A1KMT2AKDM4E
SCHEMBL2172803 0.72 PDE4B (0.52) PDE4BPDE3AALDH1A1KMT2AKDM4E
SCHEMBL2844148 0.71 PDE4B (0.49) PDE4BPDE3AALDH1A1KMT2AKDM4E
SCHEMBL13354256 0.70 PDE4B (0.39) PDE4B
SCHEMBL3129194 0.68 PDE4B (0.44) PDE4BPDE3AALDH1A1KDM4EL3MBTL1
SCHEMBL2847332 0.64 PDE4B (0.60) PDE4BPDE3A
SCHEMBL2841891 0.64 PDE4B (0.47) PDE4BPDE3AALDH1A1KMT2AKDM4E
SCHEMBL2839681 0.62 PDE4A (0.41) PDE4B
SCHEMBL13304112 0.62 FABP4 (0.36) PDE4BALDH1A1KMT2AKDM4EHPGD

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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A PDE4B 6/4885PDE3A 1/4885ALDH1A1 121/4885

“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.