SCHEMBL2803317

SCHEMBL2803317

CCOC(=O)c1cnn2c(Nc3cccc(C)c3)c(C(=O)N3CCC4(CC3)COc3ccccc34)cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.44
AVPR1A P37288 1/20 0.40
PDE4B Q07343 3/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.37
BRAF P15056 4/20 0.37
P2RY12 Q9H244 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL2801643 0.92 KDR (0.42) KDRPDE4BPDE4APDE4CPDE4D
SCHEMBL2801774 0.91 AVPR1A (0.41) KDRAVPR1APDE4BPDE4APDE4C
SCHEMBL2803190 0.90 AVPR1A (0.40) KDRAVPR1AIDO1KDM4ERAB9A
SCHEMBL2800216 0.89 AVPR1A (0.41) KDRAVPR1AIDO1KDM4ERAB9A
SCHEMBL2803627 0.88 AVPR1A (0.37) KDRAVPR1APDE4BPDE4APDE4C
SCHEMBL2801064 0.87 AVPR1A (0.39) AVPR1AIDO1KDM4ERAB9ANPC1
SCHEMBL2802452 0.84 AVPR1A (0.44) AVPR1AIDO1KDM4ERAB9ANPC1
SCHEMBL2801436 0.84 SMN1; SMN2 (0.39) KDRPDE4BPDE4APDE4CPDE4D
SCHEMBL2801299 0.84 AVPR1A (0.47) AVPR1APDE4BIDO1KDM4ERAB9A
SCHEMBL2800889 0.83 PDE4B (0.39) KDRAVPR1APDE4BPDE4APDE4C

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 3785/4885AVPR1A 4789/4885PDE4B 1603/4885

“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.