SCHEMBL2800561

SCHEMBL2800561

O=C(O)c1cnc2c(Br)cnn2c1NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.47
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA2A P29274 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ASPH Q12797 2/20 0.44
KDM8 Q8N371 2/20 0.44
RIOX2 Q8IUF8 1/20 0.44
GSK3B P49841 2/20 0.43
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
CDK2 P24941 2/20 0.42
KDR P35968 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM5B Q9UGL1 1/20 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
SCHEMBL2799952 0.86 RAB9A (0.55) ADORA3ADORA1ADORA2AKDM4EGSK3B
SCHEMBL2802845 0.81 STAT6 (0.41) KDM4EALDH1A1POLBL3MBTL1
SCHEMBL2799674 0.80 POLB (0.46) MAPK8ALDH1A1POLBHPGD
SCHEMBL2801494 0.80 CCNA2 (0.57) ADORA3ADORA1ADORA2AKDM4ECDK2
SCHEMBL2801231 0.79 TP53 (0.53) KDM4EALDH1A1HPGD
SCHEMBL2800804 0.79 VNN1 (0.37) SRCGSK3BCDK2KDRMAPK8
SCHEMBL2802395 0.79 KDM4E (0.44) KDM4EALDH1A1POLBHPGDL3MBTL1
SCHEMBL2801640 0.78 EPHX2 (0.42) KDM4EGSK3BCDK2L3MBTL1VNN1
SCHEMBL2801948 0.77 CHRM4 (0.42) GSK3BCDK2ALDH1A1L3MBTL1
SCHEMBL2801418 0.77 CHRM4 (0.42) KDM4EALDH1A1ATM

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 722/4885ADORA3 3783/4885ADORA1 2960/4885

“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.