SCHEMBL22945605

SCHEMBL22945605

CNCc1cc(C(C)C)cnc1N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
KCNH2 Q12809 1/20 0.34
DHFR P00374 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
ATR Q13535 1/20 0.31

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
SCHEMBL18657377 0.80 DHFR (0.33) HRH4HRH3KCNH2DHFRMAPKAPK2
SCHEMBL84356 0.80 NOS3 (0.40) DHFRP2RX3P2RX2
SCHEMBL14864222 0.79 TBK1 (0.40) DHFRMAPKAPK2P2RX3P2RX2
SCHEMBL20125018 0.77 NOS3 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL20801904 0.76 CYP1A2 (0.43) SLC6A2SLC6A4SLC6A3DHFRATR
SCHEMBL1093855 0.75 KMT2A (0.48) SLC6A2SLC6A4HRH3KCNH2NPC1
SCHEMBL20801738 0.75 DHFR (0.30) DHFR
SCHEMBL15828598 0.72 DHFR (0.33) SLC6A2SLC6A4SLC6A3KCNH2DHFR
SCHEMBL15471948 0.71 HTT (0.42) HRH4HRH3KCNH2DHFRMAPKAPK2
SCHEMBL84407 0.70 NOS3 (0.56) HRH4HRH3KCNH2DHFRP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 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 (1 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-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 SLC6A2 1442/4885SLC6A4 796/4885SLC6A3 548/4885

“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.