SCHEMBL2801948

SCHEMBL2801948

O=C(c1cnc2c(Br)cnn2c1NCc1ccccc1)N1CCC(c2ccccc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.42
TRPA1 O75762 2/20 0.41
GSK3B P49841 1/20 0.41
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK14 Q16539 1/20 0.40
EGLN1 Q9GZT9 1/20 0.38
TP53BP1 Q12888 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK10 P53779 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
RBP4 P02753 1/20 0.36

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
SCHEMBL2800901 0.91 CHRM4 (0.43) CHRM4TRPA1AXLFLT3TYRO3
SCHEMBL2800526 0.90 AXL (0.43) AXLFLT3TYRO3MERTKCYP2C9
SCHEMBL2802845 0.89 STAT6 (0.41) CHRM4AXLFLT3TYRO3MERTK
SCHEMBL2801418 0.88 CHRM4 (0.42) CHRM4TRPA1EGLN1TUBB4ATUBB
SCHEMBL2801439 0.88 ALDH1A1 (0.51) CHRM4AXLFLT3TYRO3MERTK
SCHEMBL2800914 0.86 RBP4 (0.41) CHRM4TRPA1AXLFLT3TYRO3
SCHEMBL2800587 0.85 STAT6 (0.42) AXLFLT3TYRO3MERTKEGLN1
SCHEMBL2800878 0.85 TP53BP1 (0.38) TRPA1GSK3BAXLFLT3TYRO3
SCHEMBL2800915 0.84 ALDH1A1 (0.43) CHRM4EGLN1MAPK10ALDH1A1
SCHEMBL2801457 0.83 AXL (0.40) AXLFLT3TYRO3MERTKTP53BP1

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 CHRM4 4837/4885TRPA1 1076/4885GSK3B 4023/4885

“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.