SCHEMBL2802161

SCHEMBL2802161

CCOC(=O)c1cnn2c(Nc3cccc(C)c3)c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
GAA P10253 1/20 0.40
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 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
SCHEMBL2798999 0.91 KDR (0.43) KDRPDE4BPDE4APDE4CPDE4D
SCHEMBL2801935 0.89 KDM4E (0.41) KDRPDE4BPDE4APDE4CPDE4D
SCHEMBL2799695 0.88 KDM4E (0.41) KDRPDE4BKDM4EALDH1A1HSD17B10
SCHEMBL2801081 0.87 KDR (0.39) KDRPDE4BPDE4APDE4CPDE4D
SCHEMBL2800918 0.86 KDM4E (0.42) PDE4BKDM4EALDH1A1HSD17B10NPC1
SCHEMBL2802820 0.85 ALDH1A1 (0.42) KDRPDE4BKDM4EALDH1A1HSD17B10
SCHEMBL2801238 0.84 DRD2 (0.46) KDRPDE4BPDE4APDE4CPDE4D
SCHEMBL2799689 0.83 KDM4E (0.47) PDE4BKDM4EALDH1A1HSD17B10NPC1
SCHEMBL2800828 0.82 KDM4E (0.47) PDE4BKDM4EALDH1A1HSD17B10NPC1
SCHEMBL2802831 0.82 KDM4E (0.40) KDRKDM4EALDH1A1HSD17B10NPC1

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 KDR 3785/4885PDE4B 1603/4885PDE4A 1025/4885

“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.