SCHEMBL23256895

SCHEMBL23256895

Cc1ccc(NC(=O)Nc2nc3ccc(C#N)cc3s2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.68
▸ GSK3B P49841 1/20 0.58
▸ DYRK1B Q9Y463 2/20 0.54
▸ CSNK1D P48730 2/20 0.54
▸ CSNK1G2 P78368 1/20 0.54
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NFKB1 P19838 2/20 0.53
▸ NFKB2 Q00653 2/20 0.53
▸ RELA Q04206 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ LCK P06239 1/20 0.52

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
SCHEMBL26034949 0.93 DYRK1A (0.61) DYRK1AGSK3BDYRK1BKMT2AMEN1
SCHEMBL21568130 0.89 DYRK1A (0.65) DYRK1AGSK3BDYRK1BCSNK1DCSNK1G2
SCHEMBL21568123 0.88 DYRK1A (0.65) DYRK1AGSK3BDYRK1BCSNK1DCSNK1G2
SCHEMBL23256870 0.88 DYRK1A (0.70) DYRK1AGSK3BDYRK1BCSNK1DCSNK1G2
SCHEMBL21568127 0.88 CSNK1D (0.72) DYRK1AGSK3BDYRK1BCSNK1DCSNK1G2
SCHEMBL23256894 0.88 DYRK1A (0.64) DYRK1AGSK3BDYRK1BCSNK1DCSNK1G2
SCHEMBL23256896 0.88 DYRK1A (0.58) DYRK1AGSK3BDYRK1BKMT2AMEN1
SCHEMBL21568324 0.85 DYRK1A (0.58) DYRK1ADYRK1BKMT2AMEN1NPC1
SCHEMBL23256883 0.85 DYRK1A (0.66) DYRK1AGSK3BDYRK1BCSNK1DCSNK1G2
SCHEMBL21568044 0.84 DYRK1A (0.63) DYRK1AGSK3BCSNK1DCSNK1G2NPC1

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-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2021-04-22 — — 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-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 DYRK1A 4618/4885GSK3B 4200/4885DYRK1B 4647/4885

“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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