SCHEMBL21568232

SCHEMBL21568232

N#Cc1cc(F)c(NC(=O)Nc2nc3ccc(Cl)cc3s2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.55
FSCN1 Q16658 1/20 0.55
CASP3 P42574 10/20 0.52
SENP7 Q9BQF6 10/20 0.52
SENP8 Q96LD8 9/20 0.52
SENP6 Q9GZR1 9/20 0.52
LRRK2 Q5S007 1/20 0.49
HSD17B1 P14061 3/20 0.47
HSD17B2 P37059 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN1 P18031 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL23256877 0.89 DYRK1A (0.57) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL21569130 0.87 DYRK1A (0.56) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL21569189 0.87 DYRK1A (0.56) DYRK1AKDM4ENPC1NFKB1RAB9A
SCHEMBL21568065 0.86 DYRK1A (0.57) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL21568107 0.85 DYRK1A (0.58) DYRK1ALRRK2
SCHEMBL21568166 0.85 DYRK1A (0.53) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL21569182 0.84 DYRK1A (0.55) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL21568163 0.83 CXCR2 (0.59) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL21568257 0.83 KDM4E (0.61) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL23256634 0.83 P2RY1 (0.42) DYRK1AHSD17B10

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 4664/4885FSCN1 2377/4885CASP3 87/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 DYRK1A 4618/4885FSCN1 2933/4885CASP3 98/4885

“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.