SCHEMBL2800800

SCHEMBL2800800

CC1=Cc2ccccc2C12CCN(C(=O)c1cnc3c(C(=O)O)cnn3c1Nc1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.48
KDR P35968 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 3/20 0.34
GRM5 P41594 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2800377 0.94 PDE4B (0.43) PDE4BKDRKDM4EALDH1A1PDE4A
SCHEMBL2799462 0.91 PDE4B (0.44) PDE4BKDRKDM4EALDH1A1PDE4A
SCHEMBL2802276 0.91 PDE4B (0.44) PDE4BKDRKDM4EALDH1A1PDE4A
SCHEMBL2799828 0.89 PDE4B (0.42) PDE4BKDRKDM4EALDH1A1PDE4A
SCHEMBL2798930 0.88 TP53 (0.40) PDE4BKDRKDM4EALDH1A1TP53
SCHEMBL2800849 0.87 SRC (0.35) PDE4BKDM4EALDH1A1TDP1TP53
SCHEMBL2802366 0.85 PDE4B (0.38) PDE4BKDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2801459 0.85 KDM4E (0.41) PDE4BKDRKDM4EALDH1A1PDE4A
SCHEMBL2803895 0.84 PDE4B (0.37) PDE4BKDRKDM4EALDH1A1PDE4A
SCHEMBL2801649 0.80 CCNA2 (0.43) KDM4EALDH1A1TDP1TP53POLB

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.