SCHEMBL2802782

SCHEMBL2802782

O=C(O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(F)(c4ccccc4)CC3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
VNN1 O95497 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SLC6A7 Q99884 1/20 0.37
OGA O60502 1/20 0.36
SCD5 Q86SK9 1/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
RIOX2 Q8IUF8 1/20 0.35
KDM8 Q8N371 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
TRPA1 O75762 1/20 0.35
HTR1A P08908 1/20 0.35
SPR P35270 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL2800804 0.91 VNN1 (0.37) SRCVNN1SLC6A7OGASCD5
SCHEMBL2803842 0.90 SCD5 (0.36) VNN1OGASCD5CYP3A4KDM4E
SCHEMBL2802606 0.82 RBP4 (0.49) SRCADORA3ADORA2AADORA1CYP3A4
SCHEMBL2801253 0.81 FFAR1 (0.40) ADORA3ADORA2AADORA1
SCHEMBL2799515 0.81 ADORA3 (0.37) SRCVNN1ADORA3ADORA2AADORA1
SCHEMBL2800787 0.81 ALDH1A1 (0.42) SRCVNN1ADORA3ADORA2AADORA1
SCHEMBL2800410 0.81 TP53 (0.54) SLC6A7KDM4EALDH1A1
SCHEMBL2800936 0.81 STAT6 (0.42) SRCADORA3ADORA2AADORA1SLC6A7
SCHEMBL2802390 0.81 NPY5R (0.47)
SCHEMBL2802426 0.81 IDO1 (0.43) SRCADORA3ADORA2AADORA1SLC6A7

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 SRC 722/4885VNN1 1063/4885ADORA3 3783/4885

“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.