SCHEMBL2802276

SCHEMBL2802276

CC1=Cc2ccccc2C12CCN(C(=O)c1cnc3c(C(=O)NS(C)(=O)=O)cnn3c1Nc1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.44
PDE4A P27815 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
KDR P35968 1/20 0.33
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 2/20 0.33
EPHA2 P29317 1/20 0.32
GSK3A P49840 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
TLR4 O00206 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 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
SCHEMBL2802366 0.94 PDE4B (0.38) PDE4BKDRALDH1A1HPGDKDM4E
SCHEMBL2799828 0.93 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DKDR
SCHEMBL2800800 0.91 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DKDR
SCHEMBL2802821 0.89 ALDH1A1 (0.34) PDE4BALDH1A1HSD17B10HPGDGSK3A
SCHEMBL2803895 0.88 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DKDR
SCHEMBL2799462 0.86 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DKDR
SCHEMBL2800377 0.86 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKDR
SCHEMBL2801104 0.82 TP53 (0.35) PDE4BKDRALDH1A1HSD17B10HPGD
SCHEMBL2801459 0.81 KDM4E (0.41) PDE4BPDE4APDE4CPDE4DKDR
SCHEMBL2798930 0.80 TP53 (0.40) PDE4BKDRALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 PDE4B 1603/4885PDE4A 1025/4885PDE4C 1596/4885

“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.