SCHEMBL21542002

SCHEMBL21542002

CC(C)Nc1nc(NCc2ccc(C(F)(F)F)cc2)c2ncccc2n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.53
BCHE P06276 3/20 0.53
ACHE P22303 3/20 0.53
CDK1 P06493 2/20 0.47
NPR1 P16066 3/20 0.45
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
NTRK1 P04629 1/20 0.44
KCNH3 Q9ULD8 1/20 0.42
EGFR P00533 1/20 0.42
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
KDR P35968 1/20 0.41
TOP1 P11387 1/20 0.40
PIP4K2C Q8TBX8 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
SCHEMBL21542062 0.86 CDK2 (0.51) APPBCHEACHENPR1PIP4K2C
SCHEMBL21567224 0.83 APP (0.77) APPBCHEACHECTNNB1TCF7L2
SCHEMBL30092996 0.83 APP (0.77) APPBCHEACHECTNNB1TCF7L2
SCHEMBL20400138 0.83 BCHE (0.45) APPBCHEACHECDK1NPR1
SCHEMBL21542070 0.83 APP (0.53) APPBCHEACHECDK1NPR1
SCHEMBL30092878 0.83 BCHE (0.53) APPBCHEACHENPR1CTNNB1
SCHEMBL21567262 0.83 BCHE (0.53) APPBCHEACHENPR1CTNNB1
SCHEMBL21542032 0.82 BCHE (0.52) APPBCHEACHENPR1EGFR
SCHEMBL21567419 0.82 CDK1 (0.48) APPBCHEACHECDK1NPR1
SCHEMBL21542001 0.77 PDE4A (0.49) APPBCHEACHENPR1USP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545675-B2 Anti-wolbachia pyrido[2,3-d]pyrimidine compounds LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2026-02-10 US disclosed
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2022-12-06 US disclosed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 US disclosed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 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 (4 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-12545675-B2 Anti-wolbachia pyrido[2,3-d]pyrimidine compounds CBR1, CBR3, COX6C APP 4837/4885BCHE 2784/4885ACHE 2483/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO APP 3897/4885BCHE 3860/4885ACHE 1710/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 APP 2829/4885BCHE 632/4885ACHE 297/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 APP 4242/4885BCHE 3579/4885ACHE 1142/4885

“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.