SCHEMBL21568264

SCHEMBL21568264

N#Cc1cc(NC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)ccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.58
▸ HSD17B10 Q99714 4/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ CSNK1D P48730 5/20 0.52
▸ BLM P54132 1/20 0.49
▸ WRN Q14191 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ KMT2A Q03164 3/20 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
SCHEMBL21568188 0.92 DYRK1A (0.61) DYRK1AHSD17B10HDAC6HDAC3HDAC4
SCHEMBL21568734 0.90 DYRK1A (0.59) DYRK1AHSD17B10HDAC6HDAC3HDAC4
SCHEMBL21568094 0.89 CSNK1D (0.58) DYRK1AHSD17B10HDAC6HDAC3HDAC4
SCHEMBL21568093 0.88 DYRK1A (0.59) DYRK1AHSD17B10HDAC6HDAC3HDAC4
SCHEMBL21568360 0.86 DYRK1A (0.57) DYRK1AHSD17B10HDAC6HDAC3HDAC4
SCHEMBL21568184 0.86 CSNK1D (0.62) DYRK1AHSD17B10CSNK1DBLMWRN
SCHEMBL21568172 0.83 DYRK1A (0.60) DYRK1AHSD17B10HDAC6HDAC3HDAC4
SCHEMBL18154477 0.83 DYRK1A (0.81) DYRK1AHSD17B10HDAC6HDAC3HDAC4
SCHEMBL21568967 0.82 BLM (0.54) DYRK1AHSD17B10BLMWRNMEN1
SCHEMBL21568287 0.82 DYRK1A (0.61) DYRK1AHSD17B10HDAC6HDAC3HDAC4

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 2 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
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 (1 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 4412/4885HDAC6 142/4885

“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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