SCHEMBL2800833

SCHEMBL2800833

O=C(c1cnc2c(Br)cnn2c1NCc1cccnc1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.47
VNN1 O95497 9/20 0.47
NAMPT P43490 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
MGLL Q99685 1/20 0.42
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41

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
SCHEMBL2802845 0.93 STAT6 (0.41) MGLL
SCHEMBL2801219 0.92 VNN1 (0.48) VNN1NAMPTMGLLSCDSCD5
SCHEMBL2801418 0.87 CHRM4 (0.42)
SCHEMBL2800587 0.87 STAT6 (0.42) MGLL
SCHEMBL2800915 0.87 ALDH1A1 (0.43) SCD5
SCHEMBL2802442 0.87 AVPR1A (0.41) MGLL
SCHEMBL2802186 0.86 VNN1 (0.43) VNN1NAMPTMGLLSCDSCD5
SCHEMBL2801457 0.85 AXL (0.40) VNN1
SCHEMBL2799022 0.85 ALDH1A1 (0.44)
SCHEMBL2800936 0.84 STAT6 (0.42) MGLL

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 GSK3B 4023/4885VNN1 1063/4885NAMPT 266/4885

“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.