SCHEMBL26645968

SCHEMBL26645968

COc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.98
HTT P42858 4/20 0.98
KDM4E B2RXH2 2/20 0.98
MERTK Q12866 2/20 0.71
RAD52 P43351 6/20 0.70
POLB P06746 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KMT2A Q03164 3/20 0.69
SLC2A1 P11166 2/20 0.67
USP2 O75604 1/20 0.66
TSHR P16473 1/20 0.66
PKM P14618 1/20 0.66
PGK1 P00558 1/20 0.65
MEN1 O00255 1/20 0.63
PAK4 O96013 1/20 0.62
PAK1 Q13153 1/20 0.62
LRRK2 Q5S007 1/20 0.62
MAPT P10636 2/20 0.61
GAA P10253 1/20 0.61
RECQL P46063 1/20 0.61

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
SCHEMBL26646013 0.87 MERTK (0.87) TAAR1HTTKDM4EMERTKRAD52
SCHEMBL8889167 0.86 NPY5R (0.76) TAAR1HTTKDM4EMERTKSMN1; SMN2
Hydrochloric Acid SCHEMBL8907425 0.85 HTT (0.75) TAAR1HTTKDM4EMERTKSMN1; SMN2
SCHEMBL8891851 0.85 NPY5R (0.78) TAAR1HTTKDM4EMERTKSMN1; SMN2
SCHEMBL23747980 0.84 HTT (0.72) TAAR1HTTKDM4EMERTKRAD52
SCHEMBL30125191 0.84 HTT (0.72) TAAR1HTTKDM4EMERTKRAD52
SCHEMBL23748458 0.84 TAAR1 (0.97) TAAR1HTTKDM4EMERTKRAD52
SCHEMBL10031968 0.84 TAAR1 (0.98) TAAR1HTTKDM4EMERTKRAD52
Hydrochloric Acid SCHEMBL8899399 0.83 NPY5R (0.76) TAAR1HTTKDM4EMERTKSMN1; SMN2
SCHEMBL8889361 0.83 KDM4E (0.70) TAAR1HTTKDM4EMERTKSMN1; SMN2

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 TAAR1 4550/4885HTT 3184/4885KDM4E 2051/4885

“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.