SCHEMBL2802356

SCHEMBL2802356

CC1CN(C(=O)c2cnc3c(C(=O)O)cnn3c2NCc2ccccc2)CCC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
MGLL Q99685 3/20 0.37
THRB P10828 1/20 0.36
PDE4B Q07343 2/20 0.36
VNN1 O95497 4/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ENPP2 Q13822 1/20 0.35
GRIN2B Q13224 1/20 0.35
LMNA P02545 1/20 0.35
TP53BP1 Q12888 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA2B P29275 1/20 0.35
RORC P51449 1/20 0.34
STAT6 P42226 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
SCHEMBL2801694 0.91 CCNA2 (0.44) PDE4BADORA3ADORA2AADORA1LMNA
SCHEMBL2800786 0.91 USP5 (0.36) MGLLTHRBPDE4BVNN1ENPP2
SCHEMBL2800936 0.86 STAT6 (0.42) SRCMGLLTHRBADORA3ADORA2A
SCHEMBL2800990 0.82 AXL (0.42) SRCTHRBPDE4BLMNA
SCHEMBL2798414 0.82 STAT6 (0.43) THRBADORA3ADORA2AADORA1ENPP2
SCHEMBL2800576 0.81 THRB (0.39) SRCTHRBVNN1ADORA3ADORA2A
SCHEMBL2801662 0.81 TP53 (0.42) THRBVNN1ENPP2STAT6
SCHEMBL2801054 0.80 CCR1 (0.45) THRBENPP2STAT6
SCHEMBL2800838 0.80 CHRM4 (0.43) ADORA3ADORA2AENPP2STAT6
SCHEMBL2801553 0.80 STAT6 (0.48) THRBPDE4BVNN1ENPP2TP53BP1

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 SRC 722/4885MGLL 4369/4885THRB 4546/4885

“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.