SCHEMBL21206512

SCHEMBL21206512

CSc1nc2ncnc(N3CCOCC3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.47
KDM4E B2RXH2 5/20 0.46
GAA P10253 1/20 0.46
CHEK1 O14757 1/20 0.45
PDPK1 O15530 1/20 0.45
PAK1 Q13153 1/20 0.45
PIK3CA P42336 2/20 0.44
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
PDE10A Q9Y233 1/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
LRRK2 Q5S007 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL21206693 0.95 MAPK1 (0.44) MAPK1KDM4EGAACHEK1PDPK1
SCHEMBL20489655 0.87 MEN1 (0.45) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL21206516 0.87 CHRM4 (0.44) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL21206813 0.83 AADAT (0.47) MAPK1KDM4EPIK3CAPDE10AALDH1A1
SCHEMBL21206722 0.79 MAPK1 (0.39) MAPK1KDM4EPIK3CARAB9AATM
SCHEMBL1192248 0.78 KDM4E (0.42) MAPK1KDM4EGAAPIK3CAHSD17B10
SCHEMBL21206861 0.78 MTOR (0.35) PIK3CALRRK2
SCHEMBL21206735 0.76 MAPK1 (0.46) MAPK1KDM4EGAACHEK1PDPK1
SCHEMBL21206801 0.73 MAPK1 (0.42) MAPK1KDM4EGAACHEK1PDPK1
SCHEMBL1192579 0.71 MAPK1 (0.51) MAPK1KDM4EGAACHEK1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 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 (2 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-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 MAPK1 1014/4885KDM4E 418/4885GAA 1891/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 MAPK1 1229/4885KDM4E 383/4885GAA 2139/4885

“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.