SCHEMBL23723285

SCHEMBL23723285

NCC(N)c1nc(Cl)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
PDE5A O76074 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GLA P06280 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
NQO2 P16083 1/20 0.37
DRD1 P21728 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 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
SCHEMBL23723247 0.89 APP (0.42) APPPDE5AMAOAMAOBKDM4E
SCHEMBL7330670 0.83 APP (0.40) APPPDE5AMAOAMAOBKDM4E
SCHEMBL31416041 0.79 CACNA2D1 (0.40) APPPDE5AKDM4EALDH1A1GBA1
SCHEMBL3113119 0.78 MAOA (0.42) APPPDE5AMAOAMAOBKDM4E
SCHEMBL8901339 0.76 GBA1 (0.40) APPPDE5AMAOAMAOBKDM4E
SCHEMBL4031318 0.75 KDM4E (0.49) APPPDE5AMAOAMAOBKDM4E
SCHEMBL3113231 0.75 APP (0.41) APPKMT2AHTTMAPTLMNA
SCHEMBL3113186 0.75 EGFR (0.49) APPKMT2ALMNAEGFRPDGFRB
SCHEMBL8890674 0.74 MAOA (0.39) APPPDE5AMAOAMAOBKDM4E
SCHEMBL3106594 0.74 MAPT (0.42) APPPDE5AMAOAMAOBKDM4E

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-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

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-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer NQO2, TP53, ABL1 APP 4864/4885PDE5A 784/4885MAOA 1335/4885

“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.