SCHEMBL24674533

SCHEMBL24674533

C[C@@H](Nc1ncnc2ccc(Br)nc12)c1cnc(C(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 4/20 0.40
CCNE1 P24864 4/20 0.40
CDK2 P24941 4/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
MAP4K4 O95819 2/20 0.39
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
EGFR P00533 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KRAS P01116 2/20 0.35
SOS1 Q07889 2/20 0.35
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33

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
SCHEMBL24674295 0.82 MAP4K4 (0.52) CCNE2CCNE1CDK2MAP4K4EGFR
SCHEMBL22726095 0.82 MAP4K4 (0.42) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL22714327 0.82 GALR3 (0.44) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL24674519 0.80 MAP4K4 (0.40) MAP4K4P2RX3P2RX2
SCHEMBL29481385 0.80 HTT (0.61) CNR1CNR2GALR3NR2F2EGFR
SCHEMBL28726566 0.80 HTT (0.61) CNR1CNR2GALR3NR2F2EGFR
SCHEMBL28726565 0.80 HTT (0.61) CNR1CNR2GALR3NR2F2EGFR
SCHEMBL22745242 0.77 GALR3 (0.67) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL22745159 0.76 CNR1 (0.52) CNR1CNR2GALR3NR2F2EGFR
SCHEMBL22745128 0.73 EGFR (0.66) CNR1CNR2EGFRLMNA

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 CCNE2 3793/4885CCNE1 3344/4885CDK2 906/4885
US-20230212169-A9 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 CCNE2 3793/4885CCNE1 3344/4885CDK2 906/4885

“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.