SCHEMBL2800901

SCHEMBL2800901

O=C(O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(c4ccccc4F)CC3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK14 Q16539 1/20 0.41
TRPA1 O75762 2/20 0.41
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 2/20 0.38
TP53 P04637 1/20 0.38
MAPK10 P53779 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
RBP4 P02753 1/20 0.37

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
SCHEMBL2801948 0.91 CHRM4 (0.42) CHRM4CYP2C9CYP2C19MAPK14TRPA1
SCHEMBL2800914 0.90 RBP4 (0.41) CHRM4CYP2C9CYP2C19MAPK14TRPA1
SCHEMBL2800990 0.90 AXL (0.42) CYP2C9CYP2C19MAPK14AXLFLT3
SCHEMBL2800936 0.88 STAT6 (0.42) CHRM4ALDH1A1THRB
SCHEMBL2800838 0.88 CHRM4 (0.43) CHRM4EGLN1ALDH1A1MAPTTP53
SCHEMBL2801051 0.87 NPSR1 (0.54) CHRM4CYP2C9CYP2C19MAPK14AXL
SCHEMBL2800576 0.86 THRB (0.39) AXLFLT3TYRO3MERTKEGLN1
SCHEMBL2801054 0.84 CCR1 (0.45) CHRM4THRBTP53
SCHEMBL2798414 0.84 STAT6 (0.43) AXLFLT3TYRO3MERTKALDH1A1
SCHEMBL2801535 0.84 ALDH1A1 (0.40) AXLFLT3TYRO3MERTKEGLN1

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 4837/4885CYP2C9 3567/4885CYP2C19 3018/4885

“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.