SCHEMBL21542014

SCHEMBL21542014

COc1ccccc1CNc1nc(N)nc2cccc(C(C)C)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.55
EGFR P00533 3/20 0.52
KDR P35968 2/20 0.52
DHFR P00374 3/20 0.49
CYP2D6 P10635 3/20 0.47
USP2 O75604 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALOX15 P16050 1/20 0.47
DCPS Q96C86 1/20 0.46
APP P05067 3/20 0.46
TLR7 Q9NYK1 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPK1 P28482 1/20 0.43
TLR8 Q9NR97 1/20 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
SCHEMBL21542044 0.81 APP (0.64) EGFRKDRDHFRAPPTLR7
SCHEMBL20399358 0.77 CD38 (0.41) CYP1A2CYP2D6CYP3A4DCPSAPP
SCHEMBL21542027 0.76 EGFR (0.47) CYP1A2EGFRKDRDHFRCYP2D6
SCHEMBL2248652 0.72 P2RX3 (0.62) CYP1A2EGFRKDRCYP2D6LMNA
SCHEMBL20177140 0.72 P2RX3 (0.58) DHFR
SCHEMBL19493026 0.71 DCPS (0.52) CYP1A2EGFRDHFRCYP2D6CYP3A4
SCHEMBL4864864 0.71 CYP1A2 (0.67) CYP1A2CYP2D6USP2LMNACYP3A4
SCHEMBL13975515 0.69 CYP1A2 (0.78) CYP1A2CYP2D6CYP3A4DCPSAPP
SCHEMBL12170163 0.69 KCNA5 (0.61) CYP1A2CYP2D6USP2LMNACYP3A4
SCHEMBL30523382 0.68 TSHR (0.69) CYP1A2EGFRKDRCYP2D6LMNA

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 CYP1A2 39/4885EGFR 4673/4885KDR 4882/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 CYP1A2 1686/4885EGFR 4282/4885KDR 4816/4885

“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.