SCHEMBL21568062

SCHEMBL21568062

N#Cc1cccc(NC(=O)Nc2nc3ccc(Br)cc3s2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.58
▸ DYRK1B Q9Y463 2/20 0.58
▸ NSD2 O96028 1/20 0.55
▸ RAB9A P51151 7/20 0.55
▸ NPC1 O15118 6/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ BLM P54132 1/20 0.53
▸ MEN1 O00255 6/20 0.52
▸ MAPT P10636 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ POLB P06746 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 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
SCHEMBL21551996 0.91 DYRK1A (0.61) DYRK1ADYRK1BNSD2RAB9ANPC1
SCHEMBL23256883 0.91 DYRK1A (0.66) DYRK1ADYRK1BNSD2RAB9ANPC1
SCHEMBL21568167 0.87 MEN1 (0.60) DYRK1ADYRK1BNSD2RAB9ANPC1
SCHEMBL23256882 0.87 DYRK1A (0.58) DYRK1ADYRK1BNSD2RAB9ANPC1
SCHEMBL23256872 0.87 HSD17B10 (0.61) DYRK1ADYRK1BNSD2RAB9ANPC1
SCHEMBL21568324 0.87 DYRK1A (0.58) DYRK1ADYRK1BNSD2RAB9ANPC1
SCHEMBL21568137 0.86 MAPT (0.68) DYRK1ADYRK1BNSD2RAB9ANPC1
SCHEMBL31637674 0.86 HSD17B10 (0.61) DYRK1ADYRK1BNSD2RAB9ANPC1
SCHEMBL21568954 0.86 DYRK1A (0.66) DYRK1ADYRK1BNSD2RAB9ANPC1
SCHEMBL21568123 0.85 DYRK1A (0.65) DYRK1ADYRK1BRAB9ANPC1CYP1A2

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-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 4664/4885DYRK1B 4707/4885NSD2 378/4885

“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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