SCHEMBL2801640

SCHEMBL2801640

O=C(c1cnc2c(Br)cnn2c1NCc1ccccc1)N1CCC(n2cccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
CXCR4 P61073 1/20 0.42
L3MBTL3 Q96JM7 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53BP1 Q12888 1/20 0.40
VNN1 O95497 3/20 0.38
THRB P10828 1/20 0.38
F11 P03951 2/20 0.37
SLC6A7 Q99884 1/20 0.37
GRIN2B Q13224 1/20 0.37
TRPA1 O75762 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
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
SCHEMBL2800863 0.92 EPHX2 (0.42) EPHX2CXCR4L3MBTL3L3MBTL1TP53BP1
SCHEMBL2801089 0.86 CXCR4 (0.38) EPHX2CXCR4L3MBTL3L3MBTL1TP53BP1
SCHEMBL2802845 0.86 STAT6 (0.41) L3MBTL3L3MBTL1TP53BP1THRBSLC6A7
SCHEMBL2801948 0.82 CHRM4 (0.42) L3MBTL3L3MBTL1TP53BP1THRBTRPA1
SCHEMBL2801418 0.82 CHRM4 (0.42) TRPA1KDM4ESTAT6
SCHEMBL2800587 0.82 STAT6 (0.42) L3MBTL3L3MBTL1TP53BP1THRBKDM4E
SCHEMBL2800526 0.82 AXL (0.43) L3MBTL3L3MBTL1TP53BP1THRBSTAT6
SCHEMBL2800878 0.82 TP53BP1 (0.38) L3MBTL3L3MBTL1TP53BP1THRBSLC6A7
SCHEMBL2800833 0.81 GSK3B (0.47) VNN1CDK2GSK3B
SCHEMBL2801231 0.81 TP53 (0.53) SLC6A7KDM4E

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 EPHX2 2322/4885CXCR4 4525/4885L3MBTL3 4153/4885

“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.