SCHEMBL30125191

SCHEMBL30125191

COc1cccc(CNc2nc(NCCO)c3ccccc3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.72
KDM4E B2RXH2 1/20 0.72
TAAR1 Q96RJ0 1/20 0.72
APP P05067 2/20 0.65
RAD52 P43351 6/20 0.64
KMT2A Q03164 2/20 0.63
POLB P06746 1/20 0.63
MEN1 O00255 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
MERTK Q12866 1/20 0.59
CASP6 P55212 1/20 0.59
USP2 O75604 2/20 0.58
TSHR P16473 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL23747980 1.00 HTT (0.72) HTTKDM4ETAAR1APPRAD52
SCHEMBL23747940 0.91 HTT (0.69) HTTKDM4ETAAR1APPRAD52
SCHEMBL2587104 0.90 APP (0.76) KDM4EAPPRAD52KMT2AMEN1
SCHEMBL23747981 0.87 SLC2A1 (0.66) HTTKDM4ETAAR1APPRAD52
SCHEMBL26645968 0.84 TAAR1 (0.98) HTTKDM4ETAAR1RAD52KMT2A
SCHEMBL23748460 0.84 RAD52 (0.77) HTTKDM4ETAAR1APPRAD52
SCHEMBL30125093 0.83 USP2 (0.58) HTTKDM4ETAAR1APPRAD52
SCHEMBL23723460 0.83 USP2 (0.58) HTTKDM4ETAAR1APPRAD52
SCHEMBL22343385 0.81 KMT2A (0.67) HTTKDM4EAPPKMT2AMEN1
SCHEMBL29490079 0.81 KMT2A (0.67) HTTKDM4EAPPKMT2AMEN1

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 2 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

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

“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.