SCHEMBL2800076

SCHEMBL2800076

O=C(O)c1cnn2c(Nc3ccc4[nH]ccc4c3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.44
SYK P43405 2/20 0.43
AVPR1A P37288 1/20 0.40
MGLL Q99685 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
ULK1 O75385 1/20 0.37
MAPK14 Q16539 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
DHODH Q02127 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPC3 Q13507 1/20 0.37
TRPC6 Q9Y210 1/20 0.37
TGFBR1 P36897 1/20 0.37
PDE4B Q07343 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
FAAH O00519 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
SCHEMBL2801644 0.94 SPR (0.44) SPRSYKAVPR1AMGLLKDM4C
SCHEMBL2801496 0.90 SPR (0.43) SPRSYKAVPR1AALDH1A1PDE4B
SCHEMBL2801964 0.89 SPR (0.40) SPRSYKAVPR1AMGLLULK1
SCHEMBL2803185 0.85 SPR (0.43) SPRSYKAVPR1AMAPK14ALDH1A1
SCHEMBL2802212 0.84 SPR (0.41) SPRSYKAVPR1AMGLLMAPK14
SCHEMBL2800586 0.83 SPR (0.45) SPRSYKAVPR1AMGLLKDM4C
SCHEMBL2801767 0.83 SPR (0.47) SPRSYKAVPR1AMGLLKDM4C
SCHEMBL2801711 0.83 DHODH (0.46) SPRSYKMGLLACACBACACA
SCHEMBL2799831 0.83 ALDH1A1 (0.47) SPRALDH1A1TRPC3TRPC6PDE4B
SCHEMBL2801606 0.83 PDE4B (0.48) SPRSYKALDH1A1TRPC3TRPC6

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 SPR 2955/4885SYK 958/4885AVPR1A 4789/4885

“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.