SCHEMBL8054530

SCHEMBL8054530

N#Cc1nc2cc(O)ccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.50
CA2 P00918 1/20 0.49
APP P05067 3/20 0.48
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ILK Q13418 1/20 0.40
PSMB8 P28062 2/20 0.40
HTT P42858 2/20 0.40
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
ESR2 Q92731 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
VCP P55072 1/20 0.39
CLK1 P49759 1/20 0.37
DYRK1B Q9Y463 1/20 0.37

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
SCHEMBL140656 0.86 HTT (0.56) DYRK1ACA2APPMAPTHTT
SCHEMBL29409281 0.86 HTT (0.56) DYRK1ACA2APPMAPTHTT
Phosphoric Acid SCHEMBL8165785 0.79 HTT (0.49) DYRK1ACA2APPMAPTHTT
SCHEMBL25137597 0.79 MAPT (0.53) CA2APPKDM4ENPC1MAPT
SCHEMBL30874492 0.79 DYRK1A (0.49) DYRK1AKDM4ENPC1MAPTRAB9A
SCHEMBL2251354 0.79 DYRK1A (0.50) DYRK1AKDM4ENPC1MAPTRAB9A
SCHEMBL9796864 0.78 PSMB8 (0.44) DYRK1AAPPNPC1MAPTRAB9A
SCHEMBL30874473 0.76 NPC1 (0.45) DYRK1AAPPKDM4ENPC1RAB9A
SCHEMBL31215568 0.76 RIPK1 (0.52) DYRK1ACA2APPNPC1MAPT
SCHEMBL28090972 0.75 CA2 (0.56) DYRK1ACA2APPKDM4ENPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239787-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-07-18 US disclosed
US-20240239787-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-07-18 US disclosed
CN-118126061-A Block precursor for in-situ generation PROTAC of responsiveness in tumor and application thereof 浙江工业大学 2024-06-04 CN disclosed
WO-2022035997-A1 IN VIVO ASSEMBLY OF ASGPR BINDING THERAPEUTICS AVILAR THERAPEUTICS, INC. (US) 2022-02-17 WO disclosed
EP-2346956-B1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES Henkel IP & Holding GmbH (DE) 2017-12-06 EP disclosed
US-9643985-B2 PCL compounds, compositions, and methods of use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
US-9643985-B2 PCL compounds, compositions, and methods of use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
US-20150376680-A1 PCL Compounds, Compositions, And Methods Of Use Thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-12-31 US disclosed
US-20150376680-A1 PCL Compounds, Compositions, And Methods Of Use Thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-12-31 US disclosed
WO-2014127360-A1 PCL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-08-21 WO disclosed
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 US disclosed
WO-1994022846-A1 COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS PFIZER INC. (US) 1994-10-13 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-20150376680-A1 PCL Compounds, Compositions, And Methods Of Use Thereof GPX4, PRDX3, LPO DYRK1A 4635/4885CA2 2958/4885APP 2314/4885
US-20240239787-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER BRIX1, TP53, XPOT DYRK1A 4755/4885CA2 4310/4885APP 3759/4885

“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.