SCHEMBL4089490

SCHEMBL4089490

Clc1nc(NCCN2CCCC2)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.63
ACP1 P24666 3/20 0.61
APP P05067 2/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 3/20 0.57
HSD17B10 Q99714 3/20 0.57
TSHR P16473 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
ALOX15 P16050 2/20 0.57
HIF1A Q16665 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP2C19 P33261 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
MAPK1 P28482 1/20 0.57
PDE5A O76074 1/20 0.56
SMARCA2 P51531 1/20 0.54
LMNA P02545 2/20 0.54

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
SCHEMBL8900656 0.99 TOP2A (0.65) TOP2AACP1APPMEN1KMT2A
SCHEMBL8890898 0.90 APP (0.58) TOP2AACP1APPMEN1KMT2A
SCHEMBL30125103 0.90 APP (0.58) TOP2AACP1APPMEN1KMT2A
SCHEMBL4088578 0.88 CYP1A2 (0.72) TOP2AACP1MEN1KMT2AMAPT
SCHEMBL1091141 0.85 TOP2A (0.64) TOP2AACP1APPMEN1KMT2A
SCHEMBL1090545 0.84 TOP2A (0.67) TOP2AACP1APPMEN1KMT2A
SCHEMBL1085090 0.83 ACP1 (0.84) TOP2AACP1MEN1KMT2AMAPT
SCHEMBL1085411 0.82 ACP1 (0.87) TOP2AACP1MEN1KMT2AMAPT
SCHEMBL30125072 0.79 ACKR3 (0.49) ACP1APPMEN1KMT2AMAPT
SCHEMBL8900229 0.79 ACKR3 (0.49) ACP1APPMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer TroBio Therapeutics Pty Ltd (AU) 2023-10-26 US disclosed
EP-4100395-A1 QUINAZOLINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT OF CANCER Trobio Therapeutics Pty Ltd (AU) 2022-12-14 EP disclosed
WO-2021155426-A1 QUINAZOLINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT OF CANCER TroBio Therapeutics Pty Ltd (AU) 2021-08-12 WO disclosed
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
EP-1778670-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM Pharma A/S (DK) 2007-05-02 EP disclosed
WO-2006010446-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2006-02-02 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-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS MCHR1, MCHR2, MC1R TOP2A 4884/4885ACP1 958/4885APP 4522/4885
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer NQO2, TP53, ABL1 TOP2A 27/4885ACP1 2031/4885APP 4864/4885

“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.