SCHEMBL21568166

SCHEMBL21568166

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.53
FSCN1 Q16658 1/20 0.53
KDM4E B2RXH2 3/20 0.51
RECQL P46063 1/20 0.51
CXCR2 P25025 1/20 0.51
CASP3 P42574 7/20 0.50
SENP8 Q96LD8 7/20 0.50
SENP7 Q9BQF6 7/20 0.50
SENP6 Q9GZR1 7/20 0.50
LRRK2 Q5S007 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 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
SCHEMBL21568163 0.90 CXCR2 (0.59) DYRK1AFSCN1KDM4ERECQLCXCR2
SCHEMBL21568072 0.88 DYRK1A (0.56) DYRK1AFSCN1KDM4ERECQLCXCR2
SCHEMBL26034933 0.88 DYRK1A (0.53) DYRK1AFSCN1KDM4ERECQLCXCR2
SCHEMBL26034943 0.88 DYRK1A (0.54) DYRK1AKDM4EMEN1KMT2ANPC1
SCHEMBL21568257 0.86 KDM4E (0.61) DYRK1AFSCN1KDM4ERECQLCXCR2
SCHEMBL21552285 0.86 CSNK1D (0.60) DYRK1AMEN1KMT2ANPC1RAB9A
SCHEMBL21568232 0.85 DYRK1A (0.55) DYRK1AFSCN1KDM4ERECQLCASP3
SCHEMBL21568167 0.85 MEN1 (0.60) DYRK1AFSCN1KDM4ERECQLCASP3
SCHEMBL21568212 0.85 DYRK1A (0.55) DYRK1AFSCN1KDM4ERECQLCXCR2
SCHEMBL23256878 0.83 CXCR2 (0.41) DYRK1ACXCR2MEN1KMT2ANPC1

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 2377/4885KDM4E 884/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 DYRK1A 4618/4885FSCN1 2933/4885KDM4E 818/4885

“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.