SCHEMBL24904265

SCHEMBL24904265

O=C1NC(S)=N/C1=C\c1ccc2nc[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ DYRK3 O43781 7/20 0.39
▸ DYRK1A Q13627 7/20 0.39
▸ DYRK2 Q92630 7/20 0.39
▸ DYRK1B Q9Y463 7/20 0.39
▸ PIM1 P11309 4/20 0.39
▸ CSNK2A2 P19784 4/20 0.39
▸ CSNK2B P67870 4/20 0.39
▸ CSNK2A1 P68400 4/20 0.39
▸ CSNK2A3 Q8NEV1 4/20 0.39
▸ CA2 P00918 1/20 0.39
▸ PRKCI P41743 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ CLK1 P49759 3/20 0.38

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
SCHEMBL24904266 0.83 KDM4E (0.60) HDAC1MAPTGAADYRK3DYRK1A
SCHEMBL30494355 0.76 MAPT (0.58) MAPTGAADYRK3DYRK1ADYRK2
SCHEMBL23510637 0.75 CLK1 (0.64) DYRK3DYRK1ADYRK2DYRK1BCSNK2A2
SCHEMBL30494246 0.73 KDM4E (0.60) MAPTGAADYRK3DYRK1ADYRK2
SCHEMBL23499918 0.72 DYRK2 (0.69) DYRK3DYRK1ADYRK2DYRK1BPIM1
SCHEMBL28843079 0.72 DYRK2 (0.69) DYRK3DYRK1ADYRK2DYRK1BPIM1
SCHEMBL29899894 0.72 DYRK2 (0.69) DYRK3DYRK1ADYRK2DYRK1BPIM1
SCHEMBL24904307 0.72 CLK1 (0.49) DYRK3DYRK1ADYRK2DYRK1BCSNK2A2
SCHEMBL14464165 0.71 METAP1 (0.49) MAPTGAADYRK3DYRK1ADYRK2
SCHEMBL23510481 0.71 KDM4E (0.48) MAPTGAADYRK3DYRK1ADYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TONGJI UNIVERSITY (CN) 2023-01-26 — — 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 (1 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-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TNNI3, TNNT2, MKI67 HDAC1 70/4885MAPT 4785/4885GAA 554/4885

“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.

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