SCHEMBL26646013

SCHEMBL26646013

COc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.87
PGK1 P00558 1/20 0.76
HTT P42858 4/20 0.76
TAAR1 Q96RJ0 3/20 0.76
KDM4E B2RXH2 2/20 0.76
POLB P06746 3/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
SLC2A1 P11166 3/20 0.73
MAPT P10636 2/20 0.72
GAA P10253 1/20 0.72
RECQL P46063 1/20 0.72
BLM P54132 1/20 0.72
RAD52 P43351 4/20 0.71
NPY5R Q15761 1/20 0.71
KMT2A Q03164 4/20 0.71
ALDH1A1 P00352 1/20 0.71
USP2 O75604 1/20 0.67
TSHR P16473 1/20 0.67
PKM P14618 1/20 0.67
MEN1 O00255 1/20 0.64

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
SCHEMBL26645968 0.87 TAAR1 (0.98) MERTKPGK1HTTTAAR1KDM4E
SCHEMBL23748458 0.87 TAAR1 (0.97) MERTKPGK1HTTTAAR1KDM4E
SCHEMBL30125235 0.86 MERTK (0.80) MERTKPGK1HTTTAAR1KDM4E
SCHEMBL23723416 0.86 MERTK (0.80) MERTKPGK1HTTTAAR1KDM4E
SCHEMBL23723462 0.86 MERTK (0.77) MERTKPGK1HTTTAAR1KDM4E
SCHEMBL30125207 0.86 MERTK (0.77) MERTKPGK1HTTTAAR1KDM4E
SCHEMBL23747981 0.86 SLC2A1 (0.66) MERTKHTTTAAR1KDM4EPOLB
SCHEMBL2590796 0.85 NPY5R (0.97) MERTKHTTPOLBSMN1; SMN2SLC2A1
SCHEMBL12175852 0.84 SLC2A1 (1.00) MERTKKDM4ESMN1; SMN2SLC2A1MAPT
SCHEMBL24169101 0.84 HTT (0.97) MERTKPGK1HTTTAAR1KDM4E

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
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

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 1336/4885PGK1 548/4885HTT 3184/4885

“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.