SCHEMBL26599007

SCHEMBL26599007

Clc1nc(NCCc2c[nH]cn2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.64
PDE5A O76074 2/20 0.52
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GBA1 P04062 1/20 0.42
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
METAP1 P53582 2/20 0.42
JAK2 O60674 1/20 0.42
PPP1CA P62136 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL26598931 0.81 PDE5A (0.53) APPPDE5AGBA1BCHEACHE
SCHEMBL17799807 0.81 APP (0.68) APPPDE5ACYP1A2GBA1HTT
SCHEMBL23748372 0.80 PDE5A (0.53) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1083938 0.79 KMT2A (0.58) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23748375 0.79 GBA1 (0.65) PDE5AGBA1HTTMAPK1LMNA
SCHEMBL23748379 0.79 METAP1 (0.47) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17799869 0.78 APP (1.00) APPPDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL23748378 0.78 PDE5A (0.50) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23747976 0.78 APP (0.61) APPPDE5ABCHEACHEMRGPRX1
SCHEMBL23747972 0.78 GRK6 (0.57) APPPDE5ABCHEACHEMETAP1

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 4864/4885PDE5A 784/4885CYP1A2 1020/4885

“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.