SCHEMBL23256869

SCHEMBL23256869

COc1cncc(NC(=O)Nc2nc3ccc(C#N)cc3s2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.64
▸ DYRK1A Q13627 2/20 0.59
▸ RAB9A P51151 5/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ LMNA P02545 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ PIK3CG P48736 9/20 0.55
▸ PIK3CA P42336 6/20 0.55
▸ CSNK1D P48730 1/20 0.52
▸ ITK Q08881 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ HTT P42858 2/20 0.49

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
SCHEMBL21568852 0.87 RAB9A (0.67) GSK3BDYRK1ARAB9ANPC1MEN1
SCHEMBL4909124 0.83 RAB9A (0.74) GSK3BDYRK1ARAB9ANPC1MEN1
SCHEMBL21568046 0.81 GSK3B (0.65) GSK3BDYRK1ARAB9ANPC1MEN1
SCHEMBL21568128 0.81 RAB9A (0.73) GSK3BDYRK1ARAB9ANPC1MEN1
SCHEMBL21568343 0.80 DYRK1A (0.59) GSK3BDYRK1ARAB9ANPC1MEN1
SCHEMBL23256895 0.80 DYRK1A (0.68) GSK3BDYRK1ARAB9ANPC1MEN1
SCHEMBL23256870 0.80 DYRK1A (0.70) GSK3BDYRK1ARAB9ANPC1MEN1
SCHEMBL23256883 0.79 DYRK1A (0.66) GSK3BDYRK1ARAB9ANPC1MEN1
SCHEMBL21568073 0.78 DYRK1A (0.62) GSK3BDYRK1ARAB9ANPC1MEN1
SCHEMBL21568130 0.78 DYRK1A (0.65) GSK3BDYRK1ARAB9ANPC1MEN1

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-11731985-B2 Compositions and methods for treating cancer HB THERAPEUTICS INC. (US) 2023-08-22 — — US disclosed
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 (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-11731985-B2 Compositions and methods for treating cancer VHL, TP53, NUDT1 GSK3B 4096/4885DYRK1A 4664/4885RAB9A 3882/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 GSK3B 4200/4885DYRK1A 4618/4885RAB9A 4161/4885

“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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