SCHEMBL20489502

SCHEMBL20489502

CSc1nc2nc(C)[nH]c(=O)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CDC7 O00311 2/20 0.37
DBF4 Q9UBU7 2/20 0.37
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
ROCK1 Q13464 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
SCD O00767 1/20 0.34
NUDT1 P36639 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL13322482 0.78 MAPK1 (0.42) HTTHPGDMAPK1CDC7DBF4
SCHEMBL20489472 0.78 PIM1 (0.40) KDRHTTHPGDPIM1ALDH1A1
SCHEMBL20489427 0.78 KDR (0.36) KDRCXCR1CXCR2
SCHEMBL20489672 0.75 SMN1; SMN2 (0.45) KDRCDC7DBF4CCNE1CDK2
SCHEMBL20489585 0.73 KDR (0.33) KDRALDH1A1CXCR1CXCR2SMN1; SMN2
SCHEMBL13322481 0.72 HPGD (0.38) HTTHPGDMAPK1CDC7DBF4
SCHEMBL20489530 0.71 ADORA1 (0.36) KDRCDC7DBF4CCNE1CDK2
SCHEMBL4478360 0.71 ALDH1A1 (0.41) KDRHPGDCDC7PIM1PIM2
SCHEMBL25390883 0.70 RPS6KA3 (0.56) KDRGAAHPGDCDC7DBF4
SCHEMBL20489452 0.68 KDR (0.39) KDRHPGDALDH1A1KDM4E

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 KDR 4701/4885GAA 1891/4885HTT 1286/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 KDR 4681/4885GAA 2139/4885HTT 798/4885

“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.