SCHEMBL8553165

SCHEMBL8553165

CC(=O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
KCNH2 Q12809 8/20 0.46
CYP3A4 P08684 6/20 0.46
ADORA2A P29274 5/20 0.46
ADORA1 P30542 5/20 0.46
MAPT P10636 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ADORA2B P29275 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL11289917 0.90 CYP2D6 (0.46) CYP2D6KCNH2CYP3A4ADORA2AADORA1
SCHEMBL7075474 0.88 EIF4A1 (0.49) CYP2D6KCNH2CYP3A4ADORA2AADORA1
SCHEMBL8556340 0.85 KCNH2 (0.45) CYP2D6KCNH2CYP3A4ADORA2AADORA1
SCHEMBL7221372 0.85 CYP2D6 (0.46) CYP2D6KCNH2CYP3A4ADORA2AADORA1
SCHEMBL7122718 0.80 CYP3A4 (0.43) CYP2D6KCNH2CYP3A4ADORA2AADORA1
SCHEMBL7219638 0.80 CYP3A4 (0.45) CYP2D6KCNH2CYP3A4ADORA2AADORA1
SCHEMBL7225213 0.79 CYP3A4 (0.44) CYP2D6KCNH2CYP3A4ADORA2AADORA1
SCHEMBL2847208 0.79 CTNNB1 (0.46) CYP2D6KCNH2CYP3A4ADORA2AADORA1
SCHEMBL13210060 0.79 ADORA2A (0.51) ADORA2AADORA1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1655812 0.78 KCNH2 (0.49) CYP2D6KCNH2CYP3A4ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716265-B2 4-quinolinemethanols as anti-malarial agents JENRIN DISCOVERY, INC. (US) 2014-05-06 US disclosed
US-8716265-B2 4-quinolinemethanols as anti-malarial agents JENRIN DISCOVERY, INC. (US) 2014-05-06 US disclosed
US-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS JENRIN DISCOVERY (US) 2012-07-12 US disclosed
US-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS JENRIN DISCOVERY (US) 2012-07-12 US disclosed
WO-2012068560-A2 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS JENRIN DISCOVERY (US) 2012-05-24 WO 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-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS CYP51A1, SQLE, NQO2 CYP2D6 276/4885KCNH2 2710/4885CYP3A4 20/4885

“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.