SCHEMBL21551996

SCHEMBL21551996

N#Cc1ccc2nc(NC(=O)Nc3cccc(Br)c3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.61
▸ DYRK1B Q9Y463 2/20 0.58
▸ GSK3B P49841 1/20 0.52
▸ RIPK3 Q9Y572 1/20 0.51
▸ MAPT P10636 6/20 0.51
▸ LMNA P02545 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ POLB P06746 3/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL21568062 0.91 DYRK1A (0.58) DYRK1ADYRK1BGSK3BMAPTLMNA
SCHEMBL23256883 0.91 DYRK1A (0.66) DYRK1ADYRK1BGSK3BMAPTLMNA
SCHEMBL21568123 0.88 DYRK1A (0.65) DYRK1ADYRK1BGSK3BMAPTLMNA
SCHEMBL23256870 0.88 DYRK1A (0.70) DYRK1ADYRK1BGSK3BMAPTLMNA
SCHEMBL21568259 0.87 LMNA (0.66) DYRK1ADYRK1BGSK3BMAPTLMNA
SCHEMBL21568852 0.84 RAB9A (0.67) DYRK1ADYRK1BGSK3BRIPK3MAPT
SCHEMBL21568073 0.83 DYRK1A (0.62) DYRK1ADYRK1BGSK3BMAPTLMNA
SCHEMBL21569110 0.83 RAB9A (0.57) DYRK1ADYRK1BGSK3BRIPK3MAPT
SCHEMBL21568126 0.83 CXCR2 (0.59) DYRK1ADYRK1BGSK3BMAPTLMNA
SCHEMBL23256872 0.83 HSD17B10 (0.61) DYRK1ADYRK1BGSK3BMAPTLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287098-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2024-08-29 — — US disclosed
US-11731985-B2 Compositions and methods for treating cancer HB THERAPEUTICS INC. (US) 2023-08-22 — — US disclosed
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
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 (3 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 4664/4885DYRK1B 4707/4885GSK3B 4096/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 DYRK1A 4618/4885DYRK1B 4647/4885GSK3B 4200/4885
US-20240287098-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 DYRK1A 4664/4885DYRK1B 4707/4885GSK3B 4096/4885

“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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