SCHEMBL23723456

SCHEMBL23723456

CCc1ccc(Nc2nc(NCCN(C)C)c3ccccc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 3/20 0.61
PDE5A O76074 2/20 0.60
PGK1 P00558 1/20 0.58
TAAR1 Q96RJ0 2/20 0.56
HTT P42858 2/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
TLR9 Q9NR96 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
NPY5R Q15761 3/20 0.54
SLC2A1 P11166 1/20 0.53
RAD52 P43351 1/20 0.52
SMARCA2 P51531 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
SCHEMBL30125213 1.00 MERTK (0.61) MERTKPDE5APGK1TAAR1HTT
SCHEMBL23723453 0.93 MERTK (0.59) MERTKPDE5APGK1TAAR1HTT
SCHEMBL30125520 0.93 MERTK (0.59) MERTKPDE5APGK1TAAR1HTT
SCHEMBL8890343 0.87 NPY5R (0.73) MERTKPDE5APGK1TAAR1HTT
Hydrochloric Acid SCHEMBL8889231 0.86 NPY5R (0.72) MERTKPDE5APGK1TAAR1HTT
SCHEMBL23723423 0.86 ACHE (0.68) POLBTLR9SLC2A1RAD52SMARCA2
SCHEMBL30125352 0.86 ACHE (0.68) POLBTLR9SLC2A1RAD52SMARCA2
SCHEMBL23723462 0.85 MERTK (0.77) MERTKPDE5APGK1TAAR1HTT
SCHEMBL30125207 0.85 MERTK (0.77) MERTKPDE5APGK1TAAR1HTT
SCHEMBL1090319 0.82 TLR9 (0.67) PDE5APOLBMAPTGAATLR9

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-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
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 MERTK 1336/4885PDE5A 784/4885PGK1 548/4885

“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.