SCHEMBL2801362

SCHEMBL2801362

Cc1ccc(Nc2c(C(=O)N3CCC4(CC3)COc3cc(F)ccc34)cnc3c(C(=O)O)cnn23)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK8 P45983 1/20 0.35
GSK3B P49841 1/20 0.35
AURKB Q96GD4 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
IDO1 P14902 5/20 0.34
TDO2 P48775 5/20 0.34
CNR1 P21554 1/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
PDE4A P27815 1/20 0.32

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) PDE4BIDO1TDO2
SCHEMBL2800927 0.92 SMN1; SMN2 (0.39) PDE4BMAPTSMN1; SMN2PDE4APDE4C
SCHEMBL2800889 0.90 PDE4B (0.39) PDE4BMAPTSMN1; SMN2AURKAMAPK8
SCHEMBL2799530 0.90 IDO1 (0.36) PDE4BSMN1; SMN2MKNK2IDO1TDO2
SCHEMBL2802251 0.89 TP53 (0.36) MAPTSMN1; SMN2IDO1TDO2CNR1
SCHEMBL2802330 0.88 IDO1 (0.36) MAPTIDO1TDO2CNR1
SCHEMBL2799864 0.85 IDO1 (0.37) MAPTSMN1; SMN2IDO1TDO2CNR1
SCHEMBL2801436 0.84 SMN1; SMN2 (0.39) PDE4BMAPTSMN1; SMN2PDE4APDE4C
SCHEMBL2799126 0.83 PRSS1 (0.39) PDE4BIDO1
SCHEMBL2803198 0.82 ALDH1A1 (0.34) PDE4BMAPTSMN1; SMN2IDO1TDO2

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 1603/4885MAPT 2533/4885SMN1; SMN2 2769/4885

“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.