SCHEMBL21710072

SCHEMBL21710072

Cc1ncc(Cc2ccnc(C)n2)cn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CDK2 P24941 2/20 0.30
DYRK1B Q9Y463 2/20 0.30
DYRK1A Q13627 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL19591020 0.81 GRM4 (0.43) GRM4CDK2DYRK1B
SCHEMBL15646531 0.79 MPO (0.36) GRM4GRIN1GRIN2BLMNAKDM4E
SCHEMBL18459225 0.79 CHRNB2 (0.43)
SCHEMBL18459205 0.73 L3MBTL1 (0.53) LMNAKDM4E
SCHEMBL30481675 0.73
SCHEMBL805491 0.73
SCHEMBL19121623 0.72 NOS1 (0.46) GRM4GRIN1GRIN2BLMNAKDM4E
SCHEMBL883723 0.72 KDM4E (0.35) GRM4GRIN1GRIN2BLMNAKDM4E
SCHEMBL15867642 0.72 NOS3 (0.40) GRM4GRIN1GRIN2BKDM4EAAK1
SCHEMBL19591019 0.72 HRH3 (0.46) GRM4LMNA

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-10981900-B2 Spiro compound and use thereof MEDSHINE DISCOVERY INC. (CN) 2021-04-20 US disclosed
US-20200048235-A1 SPIRO COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-02-13 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-20200048235-A1 SPIRO COMPOUND AND USE THEREOF S1PR1, S1PR2, S1PR3 GRM4 1437/4885GRIN1 1674/4885GRIN2B 2104/4885
US-10981900-B2 Spiro compound and use thereof S1PR1, S1PR2, S1PR3 GRM4 1437/4885GRIN1 1674/4885GRIN2B 2104/4885

“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.