SCHEMBL2800947

SCHEMBL2800947

CCOC(=O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(c4ncco4)CC3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.46
ADORA3 P0DMS8 13/20 0.46
ADORA2A P29274 13/20 0.46
ADORA2B P29275 8/20 0.46
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE4B Q07343 2/20 0.41
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2798481 0.91 ADORA3 (0.42) ADORA1ADORA3ADORA2AKDM4ESMN1; SMN2
SCHEMBL2801112 0.87 CYP3A4 (0.35) ADORA1ADORA3ADORA2APDE4BKDM4E
SCHEMBL2801294 0.86 CCNA2 (0.46) ADORA1ADORA3ADORA2AADORA2BCCNA2
SCHEMBL2800907 0.85 CCNA2 (0.54) ADORA1ADORA3ADORA2AADORA2BCCNA2
SCHEMBL2800801 0.81 ADORA1 (0.45) ADORA1CCNA2CDK2RAB9ANPSR1
SCHEMBL2801694 0.80 CCNA2 (0.44) ADORA1ADORA3ADORA2AADORA2BCCNA2
SCHEMBL2801494 0.78 CCNA2 (0.57) ADORA1ADORA3ADORA2AADORA2BCCNA2
SCHEMBL2800936 0.78 STAT6 (0.42) ADORA1ADORA3ADORA2A
SCHEMBL2798414 0.78 STAT6 (0.43) ADORA1ADORA3ADORA2ARAB9ANPC1
SCHEMBL2800990 0.78 AXL (0.42) NPSR1PDE4BMAPTSMN1; SMN2

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 ADORA1 2960/4885ADORA3 3783/4885ADORA2A 4017/4885

“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.