SCHEMBL21568954

SCHEMBL21568954

CC(=O)Nc1ccc2nc(NC(=O)Nc3cccc(C#N)c3)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.66
▸ HSD17B10 Q99714 1/20 0.62
▸ NSD2 O96028 1/20 0.60
▸ LDHA P00338 2/20 0.59
▸ RAB9A P51151 9/20 0.57
▸ DYRK1B Q9Y463 2/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ NPC1 O15118 6/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ MAPT P10636 7/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ POLB P06746 4/20 0.55
▸ PKM P14618 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ MCL1 Q07820 1/20 0.54
▸ PIK3CG P48736 1/20 0.53

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
SCHEMBL23256883 0.90 DYRK1A (0.66) DYRK1AHSD17B10NSD2RAB9ADYRK1B
SCHEMBL21568324 0.88 DYRK1A (0.58) DYRK1AHSD17B10NSD2RAB9ADYRK1B
SCHEMBL21568062 0.86 DYRK1A (0.58) DYRK1AHSD17B10NSD2RAB9ADYRK1B
SCHEMBL23256882 0.86 DYRK1A (0.58) DYRK1ANSD2RAB9ADYRK1BSMN1; SMN2
SCHEMBL23256872 0.86 HSD17B10 (0.61) DYRK1AHSD17B10NSD2RAB9ADYRK1B
SCHEMBL21568167 0.86 MEN1 (0.60) DYRK1AHSD17B10NSD2RAB9ADYRK1B
SCHEMBL21568137 0.85 MAPT (0.68) DYRK1AHSD17B10NSD2RAB9ADYRK1B
SCHEMBL21568128 0.85 RAB9A (0.73) DYRK1AHSD17B10RAB9ADYRK1BSMN1; SMN2
SCHEMBL31637674 0.85 HSD17B10 (0.61) DYRK1AHSD17B10NSD2RAB9ADYRK1B
SCHEMBL23256372 0.85 KMT2A (0.73) DYRK1AHSD17B10RAB9ADYRK1BSMN1; 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 4664/4885HSD17B10 4412/4885NSD2 378/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 DYRK1A 4618/4885HSD17B10 4512/4885NSD2 501/4885

“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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