SCHEMBL2802494

SCHEMBL2802494

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cccc(C)c3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
KDR P35968 3/20 0.40
PDE4B Q07343 4/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
HTR7 P34969 2/20 0.37
SPR P35270 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FASN P49327 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL2801081 0.93 KDR (0.39) DRD2DRD4DRD3KDRPDE4B
SCHEMBL2801661 0.92 PDE4B (0.41) PDE4BNPC1RAB9AKMT2ATP53
SCHEMBL2802165 0.89 ALDH1A1 (0.38) PDE4BNPC1RAB9AKMT2ATP53
SCHEMBL2801238 0.89 DRD2 (0.46) DRD2DRD4DRD3KDRPDE4B
SCHEMBL2800861 0.89 TP53 (0.39) PDE4BNPC1RAB9AKMT2ATP53
SCHEMBL2803213 0.88 NPC1 (0.40) PDE4BNPC1RAB9AKMT2ATP53
SCHEMBL2800842 0.87 ALDH1A1 (0.38) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL2799996 0.87 SIRT5 (0.40) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL2801637 0.86 SIRT5 (0.41) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL2801359 0.86 SYK (0.38) PDE4BRAB9ATP53MAPTSPR

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 DRD2 4861/4885DRD4 4752/4885DRD3 4787/4885

“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.