SCHEMBL2214727

SCHEMBL2214727

O=C(O)c1c[nH]nc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.42
KDM5A P29375 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
NOTUM Q6P988 1/20 0.33
EPHX2 P34913 1/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
ACMSD Q8TDX5 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
DHODH Q02127 1/20 0.32
KDM6B O15054 1/20 0.31

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
SCHEMBL12985873 0.92 HCAR2 (0.45) HCAR2KDM5AKDM5BMAPTPOLB
SCHEMBL19815488 0.91 ACMSD (0.42) HCAR2KDM5AKDM5BACMSDSMN1; SMN2
SCHEMBL21616804 0.88 PRKAB2 (0.39) HCAR2KDM5AKDM5BMAPTKDM4C
SCHEMBL28210026 0.82 PARP1 (0.37) HCAR2MAPTCCNA2CDK2CCNA1
SCHEMBL719368 0.79 PDK2 (0.39) POLBALDH1A1SMN1; SMN2
SCHEMBL27166452 0.79 CNR2 (0.33) HCAR2KDM5AKDM4CKDM4A
SCHEMBL3291537 0.75 KDM4E (0.33) KDM5AKDM5BEPHX2
SCHEMBL13506034 0.75 KMT2A (0.45) MAPTALDH1A1DHODH
SCHEMBL21543460 0.74 HCAR2 (0.34) HCAR2KDM4CEPHX2CCNA2CDK2
SCHEMBL23004666 0.72 MAPK1 (0.32) KDM4CKDM4A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118401507-A Inhibitors targeting ubiquitin-specific protease 7 (USP 7) 丹娜法伯癌症研究院 2024-07-26 CN disclosed
CN-104203943-B Substituted pyrimidine compound and its purposes as SYK inhibitor 盖诺斯克公司 2017-12-29 CN disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US 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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA HCAR2 4439/4885KDM5A 2643/4885KDM5B 2701/4885

“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.