SCHEMBL21524782

SCHEMBL21524782

CSc1ccc(Cc2ncnc3cc[nH]c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
SLC6A4 P31645 5/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PDE5A O76074 2/20 0.33
QPCT Q16769 3/20 0.33
QPCTL Q9NXS2 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 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
SCHEMBL2760379 0.76 DYRK1A (0.53) DYRK1AIRAK4
SCHEMBL20576054 0.70 DYRK1A (0.53) DYRK1ACDC7DBF4IRAK4TP53
SCHEMBL13026656 0.66 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3NPC1RAB9A
SCHEMBL1056424 0.63 DYRK1A (0.59) DYRK1AIRAK4
SCHEMBL13186164 0.63 DYRK1A (0.59) DYRK1AIRAK4
SCHEMBL18963653 0.63 DYRK1A (0.53) DYRK1AIRAK4TSHR
SCHEMBL23158613 0.60 DYRK1A (0.64) DYRK1AIRAK4
SCHEMBL8223 0.60 DYRK1A (1.00) DYRK1AIRAK4
SCHEMBL2078428 0.60 DYRK1A (0.59) DYRK1AIRAK4
SCHEMBL397656 0.60 DYRK1A (0.59) DYRK1AIRAK4

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-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-10-29 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-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TPX2, TYMS DYRK1A 856/4885CDC7 2099/4885DBF4 3962/4885

“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.