SCHEMBL2801649

SCHEMBL2801649

CCOC(=O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC4(CC3)C(C)=Cc3ccccc34)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 3/20 0.42
NPSR1 Q6W5P4 2/20 0.41
ADORA1 P30542 4/20 0.40
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 3/20 0.40
ADORA2B P29275 2/20 0.40
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
STAT1 P42224 1/20 0.39
MAPT P10636 4/20 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
SCHEMBL2800849 0.92 SRC (0.35) CCNA2CDK2KDM4EADORA1ADORA3
SCHEMBL2799462 0.89 PDE4B (0.44) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL2802821 0.87 ALDH1A1 (0.34) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL2799642 0.86 KDM4E (0.47) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL2801459 0.85 KDM4E (0.41) RAB9AKDM4ENPC1NPSR1ALDH1A1
SCHEMBL2800623 0.85 KDM4E (0.46) CCNA2CDK2RAB9AKDM4ENPC1
SCHEMBL2800805 0.84 KDM4E (0.40) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL2798942 0.84 CCNA2 (0.43) CCNA2CDK2RAB9AKDM4ENPC1
SCHEMBL2801109 0.84 CCNA2 (0.43) CCNA2CDK2RAB9AKDM4ENPC1
SCHEMBL2800913 0.84 CCNA2 (0.43) CCNA2CDK2RAB9AKDM4ENPC1

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.