SCHEMBL30125344

SCHEMBL30125344

CN(C)CCNc1nc(NCCc2cccc(C(F)(F)F)c2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.56
ACHE P22303 10/20 0.56
BCHE P06276 9/20 0.56
TRIM58 Q8NG06 1/20 0.54
NPY1R P25929 1/20 0.54
NPY5R Q15761 1/20 0.54
PDE5A O76074 1/20 0.49
SLC2A1 P11166 1/20 0.47
TLR9 Q9NR96 1/20 0.47
CDK2 P24941 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CDK7 P50613 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47

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
SCHEMBL23723491 1.00 APP (0.56) APPACHEBCHETRIM58NPY1R
SCHEMBL23723225 0.94 TRIM58 (0.62) APPACHEBCHETRIM58NPY1R
SCHEMBL30621752 0.94 TRIM58 (0.62) APPACHEBCHETRIM58NPY1R
SCHEMBL30125157 0.87 APP (0.58) APPACHEBCHENPY1RNPY5R
SCHEMBL23723420 0.87 APP (0.58) APPACHEBCHENPY1RNPY5R
SCHEMBL26646037 0.87 APP (0.57) APPACHEBCHENPY1RNPY5R
SCHEMBL23723434 0.87 ACHE (0.60) APPACHEBCHETRIM58PDE5A
SCHEMBL30125353 0.87 ACHE (0.60) APPACHEBCHETRIM58PDE5A
SCHEMBL30125330 0.86 ACHE (0.56) APPACHEBCHENPY1RNPY5R
SCHEMBL23723463 0.86 ACHE (0.56) APPACHEBCHENPY1RNPY5R

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 APP 4864/4885ACHE 1215/4885BCHE 1774/4885

“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.