SCHEMBL2800889

SCHEMBL2800889

Cc1cccc(Nc2c(C(=O)N3CCC4(CC3)COc3cc(F)ccc34)cnc3c(C(=O)O)cnn23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.39
KDR P35968 2/20 0.39
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
DHODH Q02127 1/20 0.35
IDO1 P14902 3/20 0.34
TDO2 P48775 3/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 2/20 0.33
F11 P03951 1/20 0.33
AVPR1A P37288 1/20 0.33
TLR4 O00206 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2800575 0.92 ALDH1A1 (0.37) PDE4BKDRKDM4EDHODHIDO1
SCHEMBL2801643 0.92 KDR (0.42) PDE4BKDRKDM4ERAB9APDE4A
SCHEMBL2801774 0.91 AVPR1A (0.41) PDE4BKDRKDM4ERAB9APDE4A
SCHEMBL2803189 0.90 PDE4B (0.36) PDE4BKDRKDM4ERAB9APDE4A
SCHEMBL2801362 0.90 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DIDO1
SCHEMBL2802330 0.89 IDO1 (0.36) KDM4EDHODHIDO1TDO2CNR1
SCHEMBL2802251 0.89 TP53 (0.36) KDM4EDHODHIDO1TDO2CNR1
SCHEMBL2799864 0.88 IDO1 (0.37) KDM4EIDO1TDO2CNR1CNR2
SCHEMBL2799530 0.88 IDO1 (0.36) PDE4BKDM4EIDO1TDO2CNR1
SCHEMBL2801436 0.84 SMN1; SMN2 (0.39) PDE4BKDRKDM4ERAB9APDE4A

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 PDE4B 1603/4885KDR 3785/4885KDM4E 3180/4885

“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.