SCHEMBL2801625

SCHEMBL2801625

O=C(O)c1cnn2c(NC3CCc4ccccc43)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.46
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
AXL P30530 2/20 0.40
FLT3 P36888 2/20 0.40
TYRO3 Q06418 2/20 0.40
MERTK Q12866 2/20 0.40
GUCY1A1 Q02108 3/20 0.39
GUCY1B1 Q02153 3/20 0.39
SPR P35270 3/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NAMPT P43490 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 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
SCHEMBL2801440 0.90 PDE2A (0.47) PDE2AJAK2JAK1TYK2JAK3
SCHEMBL2801257 0.89 PDE2A (0.44) PDE2AAXLFLT3TYRO3MERTK
SCHEMBL2800063 0.82 SPR (0.44) GUCY1A1GUCY1B1SPRALDH1A1L3MBTL1
SCHEMBL2800936 0.80 STAT6 (0.42) SPRALDH1A1L3MBTL1
SCHEMBL2801102 0.80 SIRT5 (0.50) SPRALDH1A1L3MBTL1MAPTHPGD
SCHEMBL2801085 0.80 PDE4B (0.44) SPRALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL2799831 0.80 ALDH1A1 (0.47) SPRALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL2801606 0.80 PDE4B (0.48) SPRALDH1A1L3MBTL1MAPTTSHR
SCHEMBL2798969 0.80 SCD5 (0.44) SPRALDH1A1L3MBTL1TSHRSCD5
SCHEMBL2801745 0.79 SPR (0.41) SPRALDH1A1L3MBTL1TSHRSCD5

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 PDE2A 813/4885JAK2 857/4885JAK1 210/4885

“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.