SCHEMBL23748376

SCHEMBL23748376

CN(C)CCCNc1nc(-c2ccsc2)nc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.74
ALDH1A1 P00352 1/20 0.74
RAD52 P43351 5/20 0.70
POLB P06746 5/20 0.69
KMT2A Q03164 2/20 0.65
RXFP1 Q9HBX9 1/20 0.65
TLR9 Q9NR96 2/20 0.62
SMARCA2 P51531 1/20 0.60
ACP1 P24666 2/20 0.57
SLC2A1 P11166 2/20 0.54
FLT3 P36888 2/20 0.54
PDE5A O76074 2/20 0.54
TOP2A P11388 1/20 0.54
NPC1 O15118 1/20 0.53
APOBEC3A P31941 1/20 0.53
RAB9A P51151 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
GBA1 P04062 1/20 0.52

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
SCHEMBL23723436 0.93 TLR9 (0.72) MAPK1ALDH1A1RAD52POLBKMT2A
SCHEMBL30125496 0.93 TLR9 (0.72) MAPK1ALDH1A1RAD52POLBKMT2A
SCHEMBL23747958 0.84 MAPK1 (0.71) MAPK1ALDH1A1POLBKMT2ATLR9
SCHEMBL23723245 0.81 PDE5A (0.53) MAPK1ALDH1A1RAD52POLBKMT2A
SCHEMBL10065464 0.81 ALDH1A1 (0.76) MAPK1ALDH1A1RAD52POLBKMT2A
Hydrochloric Acid SCHEMBL4511057 0.80 MAPK1 (0.78) MAPK1ALDH1A1RAD52POLBKMT2A
SCHEMBL26639503 0.80 MAPK1 (0.74) MAPK1ALDH1A1RAD52POLBKMT2A
SCHEMBL17799977 0.79 GBA1 (0.54) MAPK1POLBKMT2ATLR9ACP1
SCHEMBL29713600 0.79 TLR9 (0.95) MAPK1ALDH1A1RAD52POLBKMT2A
SCHEMBL1085391 0.79 TLR9 (0.95) MAPK1ALDH1A1RAD52POLBKMT2A

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 5 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
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer TroBio Therapeutics Pty Ltd (AU) 2023-10-26 US disclosed
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 MAPK1 3295/4885ALDH1A1 1908/4885RAD52 1426/4885

“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.