SCHEMBL21542043

SCHEMBL21542043

COc1ccc(CNc2nc(NC(C)C)nc3ccsc23)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.67
BCHE P06276 6/20 0.67
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
APP P05067 5/20 0.48
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
GAA P10253 1/20 0.45
NPR1 P16066 1/20 0.45

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
SCHEMBL30093057 1.00 ACHE (0.67) ACHEBCHETNFNOD1CYP1A2
SCHEMBL20406810 0.86 PDE4A (0.62) ACHEBCHECYP1A2CYP2C9CYP2C19
SCHEMBL21567305 0.84 PDE4A (0.64) ACHEBCHEAPPPDE4APDE4B
SCHEMBL30092881 0.84 PDE4A (0.64) ACHEBCHEAPPPDE4APDE4B
SCHEMBL21567225 0.82 PDE4A (0.63) ACHEBCHETNFNOD1CYP1A2
SCHEMBL30092941 0.82 PDE4A (0.63) ACHEBCHETNFNOD1CYP1A2
SCHEMBL21567304 0.81 PDE4A (0.52) ACHEBCHEAPPPDE4APDE4B
SCHEMBL30092880 0.81 PDE4A (0.52) ACHEBCHEAPPPDE4APDE4B
SCHEMBL21567306 0.81 PDE4A (0.52) ACHEBCHEAPPPDE4APDE4B
SCHEMBL30092963 0.81 PDE4A (0.52) ACHEBCHEAPPPDE4APDE4B

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
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 (3 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-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO ACHE 1710/4885BCHE 3860/4885TNF 4137/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 ACHE 297/4885BCHE 632/4885TNF 2147/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 ACHE 1142/4885BCHE 3579/4885TNF 3789/4885

“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.