SCHEMBL21542062

SCHEMBL21542062

CC(C)Nc1nc(NCc2ccc(C(F)(F)F)nc2)c2ncccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.51
CDK9 P50750 3/20 0.51
BCHE P06276 3/20 0.47
ACHE P22303 3/20 0.47
APP P05067 2/20 0.47
ADORA2A P29274 2/20 0.44
ADORA2B P29275 1/20 0.44
NPR1 P16066 3/20 0.43
BCDIN3D Q7Z5W3 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL21542002 0.86 APP (0.53) BCHEACHEAPPNPR1PIP4K2C
SCHEMBL30092858 0.85 ACHE (0.67) CDK2CDK9BCHEACHEAPP
SCHEMBL21542056 0.85 ACHE (0.67) CDK2CDK9BCHEACHEAPP
SCHEMBL21542007 0.84 BCHE (0.47) CDK2CDK9BCHEACHEAPP
SCHEMBL21542032 0.81 BCHE (0.52) CDK2BCHEACHEAPPNPR1
SCHEMBL20400138 0.80 BCHE (0.45) BCHEACHEAPPNPR1PIP4K2C
SCHEMBL21542039 0.80 ADORA2A (0.56) CDK2CDK9BCHEACHEAPP
SCHEMBL21567419 0.79 CDK1 (0.48) CDK2BCHEACHEAPPNPR1
SCHEMBL21567262 0.78 BCHE (0.53) CDK2BCHEACHEAPPNPR1
SCHEMBL30092878 0.78 BCHE (0.53) CDK2BCHEACHEAPPNPR1

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 CDK2 1213/4885CDK9 2333/4885BCHE 2784/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO CDK2 114/4885CDK9 805/4885BCHE 3860/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 CDK2 1913/4885CDK9 2947/4885BCHE 632/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 CDK2 118/4885CDK9 725/4885BCHE 3579/4885

“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.