SCHEMBL24673915

SCHEMBL24673915

C[C@@H](Nc1ncnc2ncc(-c3ccc(F)cc3)cc12)c1cnc(C(F)(F)F)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.51
PIK3CA P42336 2/20 0.45
GPR55 Q9Y2T6 1/20 0.43
HDAC3 O15379 1/20 0.42
ERBB2 P04626 1/20 0.42
KDR P35968 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
DYRK1A Q13627 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 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
SCHEMBL29749643 1.00 EGFR (0.51) EGFRPIK3CAGPR55HDAC3ERBB2
SCHEMBL29427594 0.90 EGFR (0.45) EGFRPIK3CACCNE2CCNE1CDK2
SCHEMBL28720112 0.90 EGFR (0.45) EGFRPIK3CACCNE2CCNE1CDK2
SCHEMBL24674172 0.90 EGFR (0.45) EGFRPIK3CACCNE2CCNE1CDK2
SCHEMBL24674485 0.89 EGFR (0.44) EGFRPIK3CAHDAC3ERBB2KDR
SCHEMBL22714179 0.89 EGFR (0.44) EGFRPIK3CAHDAC3ERBB2KDR
SCHEMBL29481331 0.86 EGFR (0.66) EGFRPIK3CADYRK1ATNF
SCHEMBL22745128 0.86 EGFR (0.66) EGFRPIK3CADYRK1ATNF
SCHEMBL28726498 0.86 EGFR (0.66) EGFRPIK3CADYRK1ATNF
SCHEMBL22714307 0.84 EGFR (0.43) EGFRPIK3CAGPR55HDAC3ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1611/4885PIK3CA 302/4885GPR55 91/4885
US-20230212169-A9 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 EGFR 1611/4885PIK3CA 302/4885GPR55 91/4885

“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.