SCHEMBL2801294

SCHEMBL2801294

CCOC(=O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(c4cncnc4)CC3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
RAB9A P51151 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ADORA1 P30542 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 1/20 0.42
PDE4B Q07343 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 4/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40

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
SCHEMBL2800907 0.91 CCNA2 (0.54) CCNA2CDK2RAB9ANPSR1NPC1
SCHEMBL2800576 0.90 THRB (0.39) ADORA1ADORA3ADORA2ALMNAL3MBTL1
SCHEMBL2800801 0.86 ADORA1 (0.45) CCNA2CDK2RAB9ANPSR1NPC1
SCHEMBL2800947 0.86 ADORA1 (0.46) CCNA2CDK2RAB9ANPSR1NPC1
SCHEMBL2798553 0.86 THRB (0.37) KDM4EPDE4BSMN1; SMN2ALDH1A1HPGD
SCHEMBL2801694 0.84 CCNA2 (0.44) CCNA2CDK2RAB9ANPSR1NPC1
SCHEMBL2800936 0.84 STAT6 (0.42) ADORA1ADORA3ADORA2AALDH1A1POLB
SCHEMBL2798414 0.83 STAT6 (0.43) RAB9ANPC1KDM4EADORA1ADORA3
SCHEMBL2801553 0.81 STAT6 (0.48) PDE4BALDH1A1L3MBTL1ENPP2
SCHEMBL2801662 0.81 TP53 (0.42) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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 CCNA2 2900/4885CDK2 3692/4885RAB9A 3259/4885

“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.