SCHEMBL21568098

SCHEMBL21568098

N#Cc1ccc(NC(=O)Nc2nc3ccc(Cl)nc3s2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ P2RY1 P47900 11/20 0.46
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ P2RX1 P51575 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ CXCR1 P25024 1/20 0.38
▸ CXCR2 P25025 1/20 0.38

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
SCHEMBL23256879 0.91 P2RY1 (0.50) DYRK1AMAPTKMT2AP2RY1GSK3B
SCHEMBL21568196 0.87 P2RY1 (0.47) DYRK1AKMT2AP2RY1GSK3B
SCHEMBL21568207 0.87 DYRK1A (0.47) DYRK1AMAPTKMT2AP2RY1GSK3B
SCHEMBL21568376 0.87 P2RY1 (0.43) DYRK1AP2RY1GSK3BP2RX1HSD17B10
SCHEMBL23256876 0.84 MAPT (0.53) DYRK1AMAPTKMT2AP2RY1HSD17B10
SCHEMBL21568159 0.83 DYRK1A (0.58) DYRK1AMAPTKMT2AGSK3BHSD17B10
SCHEMBL23256888 0.83 NSD2 (0.53) DYRK1AMAPTKMT2AP2RY1P2RX1
SCHEMBL21568244 0.81 DYRK1A (0.58) DYRK1AMAPTKMT2AGSK3BHSD17B10
SCHEMBL23256634 0.80 P2RY1 (0.42) DYRK1AP2RY1GSK3BHSD17B10
SCHEMBL21569167 0.80 CXCR2 (0.50) DYRK1AMAPTKMT2AP2RY1HSD17B10

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 4 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-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 4664/4885MAPT 1476/4885KMT2A 623/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 DYRK1A 4618/4885MAPT 1587/4885KMT2A 512/4885

“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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