SCHEMBL24673910

SCHEMBL24673910

C[C@@H](Nc1ncnc2cnc(-c3ccc(F)cc3)cc12)c1cnc(C(F)(F)F)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.53
CCNE2 O96020 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
DYRK1A Q13627 1/20 0.45
PIK3CA P42336 2/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KRAS P01116 2/20 0.41
SOS1 Q07889 2/20 0.41
HDAC3 O15379 1/20 0.41
ERBB2 P04626 1/20 0.41
KDR P35968 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL29427613 1.00 EGFR (0.53) EGFRCCNE2CCNE1CDK2DYRK1A
SCHEMBL28713734 1.00 EGFR (0.53) EGFRCCNE2CCNE1CDK2DYRK1A
SCHEMBL29481331 0.87 EGFR (0.66) EGFRDYRK1APIK3CACNR1CNR2
SCHEMBL28726498 0.87 EGFR (0.66) EGFRDYRK1APIK3CACNR1CNR2
SCHEMBL22745128 0.87 EGFR (0.66) EGFRDYRK1APIK3CACNR1CNR2
SCHEMBL24674295 0.81 MAP4K4 (0.52) EGFRCCNE2CCNE1CDK2DYRK1A
SCHEMBL24674224 0.80 CNR1 (0.49) EGFRCCNE2CCNE1CDK2PIK3CA
SCHEMBL24673915 0.80 EGFR (0.51) EGFRCCNE2CCNE1CDK2DYRK1A
SCHEMBL29749643 0.80 EGFR (0.51) EGFRCCNE2CCNE1CDK2DYRK1A
SCHEMBL24674199 0.80 P2RX3 (0.42)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114222741-A As P2X3Suppression ofPyridopyrimidine derivatives as agents 奇斯药制品公司 2022-03-22 CN claimed
US-20230212169-A9 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-06 US disclosed
US-20230212169-A9 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-06 US disclosed
US-20220235060-A1 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS CHIESI FARM SPA (IT) 2022-07-28 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 (2 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-20220235060-A1 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 EGFR 1611/4885CCNE2 3793/4885CCNE1 3344/4885
US-20230212169-A9 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 EGFR 1611/4885CCNE2 3793/4885CCNE1 3344/4885

“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.