SCHEMBL21568059

SCHEMBL21568059

COc1cccc(NC(=O)Nc2nc3ccc(C#N)cc3s2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.60
▸ GSK3B P49841 1/20 0.60
▸ RAB9A P51151 8/20 0.50
▸ NPC1 O15118 7/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ITK Q08881 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ GHSR Q92847 1/20 0.48

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 0.82 RAB9A (0.67) DYRK1AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL21568343 0.81 DYRK1A (0.59) DYRK1AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL23256883 0.79 DYRK1A (0.66) DYRK1AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL23256870 0.78 DYRK1A (0.70) DYRK1AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL21568046 0.78 GSK3B (0.65) DYRK1AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL21568128 0.78 RAB9A (0.73) DYRK1AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL21568044 0.77 DYRK1A (0.63) DYRK1AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL23256869 0.77 GSK3B (0.64) DYRK1AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL23256895 0.76 DYRK1A (0.68) DYRK1AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL21568692 0.76 DYRK1A (1.00) DYRK1AGSK3BRAB9ANPC1SMN1; SMN2

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 3 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
WO-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 — — WO 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 DYRK1A 4664/4885GSK3B 4096/4885RAB9A 3882/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 DYRK1A 4618/4885GSK3B 4200/4885RAB9A 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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