SCHEMBL2801774

SCHEMBL2801774

Cc1cccc(Nc2c(C(=O)N3CCC4(CC3)COc3ccccc34)cnc3c(C(=O)O)cnn23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.41
KDR P35968 2/20 0.41
IDO1 P14902 1/20 0.41
PDE4B Q07343 4/20 0.40
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 1/20 0.39
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
AURKA O14965 1/20 0.36
MAPK8 P45983 1/20 0.36
AURKB Q96GD4 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PRSS1 P07477 3/20 0.35
PRSS2 P07478 3/20 0.35
PRSS3 P35030 3/20 0.35
DHODH Q02127 1/20 0.35
SCD O00767 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2803317 0.91 KDR (0.44) AVPR1AKDRIDO1PDE4BKDM4E
SCHEMBL2800889 0.91 PDE4B (0.39) AVPR1AKDRIDO1PDE4BKDM4E
SCHEMBL2803627 0.89 AVPR1A (0.37) AVPR1AKDRIDO1PDE4BKDM4E
SCHEMBL2800426 0.89 AVPR1A (0.41) AVPR1AKDRIDO1PDE4BKDM4E
SCHEMBL2801799 0.88 IDO1 (0.43) AVPR1AIDO1PDE4BKDM4EPRSS1
SCHEMBL2801503 0.88 AVPR1A (0.42) AVPR1AIDO1PDE4BKDM4EPRSS1
SCHEMBL2801651 0.86 IDO1 (0.41) AVPR1AIDO1PDE4BKDM4EPRSS1
SCHEMBL2801643 0.83 KDR (0.42) KDRPDE4BKDM4ERAB9APDE4A
SCHEMBL2800575 0.82 ALDH1A1 (0.37) AVPR1AKDRIDO1PDE4BKDM4E
SCHEMBL2802426 0.82 IDO1 (0.43) AVPR1AIDO1KDM4EPRSS1PRSS2

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 AVPR1A 4789/4885KDR 3785/4885IDO1 2086/4885

“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.