SCHEMBL21542027

SCHEMBL21542027

COc1ccccc1CNc1nc(N)nc2cc(C(C)C)sc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.47
KDR P35968 2/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
APP P05067 1/20 0.44
MAPK1 P28482 2/20 0.44
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
ADORA1 P30542 3/20 0.43
TLR7 Q9NYK1 2/20 0.43
CYP1A2 P05177 4/20 0.43
USP2 O75604 3/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43

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
SCHEMBL21542048 0.82 EGFR (0.44) EGFRAPPTLR7LMNACYP3A4
SCHEMBL21542020 0.81 APP (0.57) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL21541991 0.80 APP (0.62) EGFRKDRPDE4APDE4BPDE4C
SCHEMBL21542014 0.76 CYP1A2 (0.55) EGFRKDRAPPMAPK1TLR7
SCHEMBL4116834 0.69 TLR8 (0.52) EGFRKDRAPPMAPK1TLR7
SCHEMBL2248652 0.69 P2RX3 (0.62) EGFRKDRMAPK1CYP1A2LMNA
SCHEMBL20177140 0.69 P2RX3 (0.58) DHFR
SCHEMBL4864864 0.67 CYP1A2 (0.67) MAPK1CYP1A2USP2LMNACYP3A4
SCHEMBL16146446 0.67 TSHR (0.69) EGFRKDRCYP1A2LMNACYP3A4
SCHEMBL30523382 0.67 TSHR (0.69) EGFRKDRCYP1A2LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 EGFR 4673/4885KDR 4882/4885PDE4A 1803/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 EGFR 4282/4885KDR 4816/4885PDE4A 2160/4885

“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.