SCHEMBL30516684

SCHEMBL30516684

Cc1ccc([C@@H](C)Nc2ncnc3c(OCC(F)F)cc(-c4ccc(F)cn4)cc23)nn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.34
PIK3CA P42336 2/20 0.34
MKNK2 Q9HBH9 3/20 0.33
NR1I2 O75469 2/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
PDPK1 O15530 1/20 0.32
RPS6KB1 P23443 1/20 0.32
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL27145456 1.00 EGFR (0.34) EGFRPIK3CAMKNK2NR1I2PSEN1
SCHEMBL24478325 1.00 EGFR (0.34) EGFRPIK3CAMKNK2NR1I2PSEN1
SCHEMBL28726607 0.89 EGFR (0.39) EGFRPIK3CAPSEN1PSEN2APH1B
SCHEMBL29481215 0.89 EGFR (0.39) EGFRPIK3CAPSEN1PSEN2APH1B
SCHEMBL28726604 0.89 EGFR (0.39) EGFRPIK3CAPSEN1PSEN2APH1B
SCHEMBL29631228 0.85 MKNK2 (0.36) EGFRPIK3CAMKNK2
SCHEMBL24478319 0.85 MKNK2 (0.36) EGFRPIK3CAMKNK2
SCHEMBL29631233 0.83 USP2 (0.35) EGFRMKNK2RPS6KB1
SCHEMBL24478400 0.83 USP2 (0.35) EGFRMKNK2RPS6KB1
SCHEMBL28726631 0.81 EGFR (0.39) EGFRPIK3CAPSEN1PSEN2APH1B

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
CN-116601149-A Aminoquinazoline derivatives as P2X3 inhibitors 奇斯药制品公司 2023-08-15 CN claimed
US-20240025880-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 US 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-20240025880-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 EGFR 2409/4885PIK3CA 627/4885MKNK2 2092/4885

“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.