SCHEMBL21568044

SCHEMBL21568044

Cc1ccc(NC(=O)Nc2nc3ccc(C#N)cc3s2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.63
▸ GSK3B P49841 1/20 0.56
▸ LCK P06239 3/20 0.50
▸ PIK3CG P48736 1/20 0.48
▸ ABL1 P00519 1/20 0.47
▸ NPC1 O15118 7/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KLK7 P49862 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ CSNK1D P48730 1/20 0.45
▸ CSNK1G2 P78368 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ ACP1 P24666 1/20 0.44

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
SCHEMBL23256895 0.84 DYRK1A (0.68) DYRK1AGSK3BLCKABL1NPC1
SCHEMBL26034949 0.80 DYRK1A (0.61) DYRK1AGSK3BLCKNPC1RAB9A
SCHEMBL21568130 0.78 DYRK1A (0.65) DYRK1AGSK3BLCKPIK3CGABL1
SCHEMBL21568244 0.78 DYRK1A (0.58) DYRK1AGSK3BABL1NPC1RAB9A
SCHEMBL21568692 0.78 DYRK1A (1.00) DYRK1AGSK3BPIK3CGNPC1RAB9A
SCHEMBL23256896 0.78 DYRK1A (0.58) DYRK1AGSK3BLCKPIK3CGABL1
SCHEMBL23256870 0.78 DYRK1A (0.70) DYRK1AGSK3BLCKNPC1RAB9A
SCHEMBL6068126 0.78 DYRK1A (0.71) DYRK1AGSK3BPIK3CGABL1NPC1
SCHEMBL21568324 0.77 DYRK1A (0.58) DYRK1ALCKNPC1RAB9ASMN1; SMN2
SCHEMBL21568059 0.77 DYRK1A (0.60) DYRK1AGSK3BPIK3CGNPC1RAB9A

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 4096/4885LCK 703/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 DYRK1A 4618/4885GSK3B 4200/4885LCK 666/4885

“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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