SCHEMBL20489574

SCHEMBL20489574

CCOc1cnc2nc(-n3c(C)ccc3C)sc2n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 3/20 0.45
MAPT P10636 4/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL31619095 0.85 TSHR (0.36) AADATMAPTTSHR
SCHEMBL31229253 0.77 MAPT (0.38) MAPTTSHRKDM4E
SCHEMBL2666807 0.77 MAPT (0.35) MAPTTSHRKDM4E
SCHEMBL20489480 0.74 AADAT (0.42) AADATMAPTTSHRKDM4EALDH1A1
SCHEMBL20489475 0.73 PIK3CD (0.42) AADATMAPTTSHRKDM4EMAPK1
SCHEMBL20489690 0.73 ALDH1A1 (0.39) AADATKDM4EALDH1A1SMN1; SMN2
SCHEMBL31229328 0.73 PIK3CD (0.42) AADATMAPTTSHRKDM4EMAPK1
SCHEMBL20489660 0.72 AADAT (0.44) AADATMAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL31229332 0.72 MAPT (0.34) MAPTTSHRALDH1A1
SCHEMBL31229249 0.65 TSHR (0.45) MAPTTSHR

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 AADAT 1539/4885MAPT 2348/4885TSHR 4130/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 AADAT 1329/4885MAPT 2057/4885TSHR 4043/4885

“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.