SCHEMBL21542046

SCHEMBL21542046

CC(C)Nc1nc(N)c2c(Cc3ccccc3F)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.44
DCPS Q96C86 4/20 0.44
APP P05067 3/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
MAPK1 P28482 1/20 0.38
ELANE P08246 1/20 0.38
CYP2D6 P10635 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
AURKA O14965 2/20 0.36
GRK6 P43250 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL21541976 0.85 DCPS (0.44) DHFRDCPSAPPBCHEACHE
SCHEMBL21542012 0.84 HTR7 (0.41) DHFRDCPSAPPBCHEACHE
SCHEMBL21541996 0.80 APP (0.46) DHFRDCPSAPPBCHEACHE
SCHEMBL21542052 0.77 DHFR (0.39) DHFRDCPSAPPBCHEACHE
SCHEMBL30493663 0.72 ELANE (0.46) DHFRDCPSAPPMAPK1ELANE
SCHEMBL30092987 0.69 BCHE (0.70) APPBCHEACHEMAPK1ALDH1A1
SCHEMBL21567249 0.69 BCHE (0.70) APPBCHEACHEMAPK1ALDH1A1
SCHEMBL20399922 0.68 CD38 (0.34) MAPK1ALDH1A1KCNH2
Hydrochloric Acid SCHEMBL3779550 0.66 KCNH3 (0.50) MAPK1NPC1ALDH1A1RAB9A
SCHEMBL4183660 0.65 CACNA1G (0.43) APPMAPK1NPC1HTTRAB9A

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 DHFR 103/4885DCPS 672/4885APP 2829/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 DHFR 78/4885DCPS 1048/4885APP 4242/4885

“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.