SCHEMBL20489458

SCHEMBL20489458

CN(C)c1cnc2nc(N)sc2n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
AADAT Q8N5Z0 1/20 0.35
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NOS1 P29475 1/20 0.31
MET P08581 1/20 0.31
GRM5 P41594 1/20 0.31
PAK4 O96013 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20489525 0.79 CKS1B (0.35) CKS1BSKP1SKP2AADAT
SCHEMBL31229394 0.78 ADK (0.33) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL14964127 0.76 AADAT (0.34) CKS1BSKP1SKP2AADATMET
SCHEMBL14970112 0.76 AADAT (0.36) CKS1BSKP1SKP2AADAT
SCHEMBL31318718 0.76 HSD17B10 (0.41) HPGDHSD17B10NOS1PIK3CDPIK3CA
SCHEMBL558626 0.76 HSD17B10 (0.41) HPGDHSD17B10NOS1PIK3CDPIK3CA
SCHEMBL31167898 0.72 HSD17B10 (0.34) HPGDHSD17B10NOS1MAPT
SCHEMBL35212102 0.72 ALDH1A1 (0.35) HPGDHSD17B10NOS1KDM4EALDH1A1
SCHEMBL2666806 0.72 HPGD (0.31) HPGDHSD17B10NOS1
SCHEMBL558075 0.72 HSD17B10 (0.34) HPGDHSD17B10NOS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
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
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 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 (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 CKS1B 666/4885SKP1 487/4885SKP2 1336/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 CKS1B 1094/4885SKP1 526/4885SKP2 1288/4885

“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.