SCHEMBL8554943

SCHEMBL8554943

N#CC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.56
ADORA2A P29274 6/20 0.56
ADORA1 P30542 6/20 0.56
CYP3A4 P08684 4/20 0.56
HTT P42858 4/20 0.56
LMNA P02545 3/20 0.56
ADORA3 P0DMS8 2/20 0.56
CYP2D6 P10635 2/20 0.56
ADORA2B P29275 1/20 0.56
CYP2C19 P33261 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
KDM4E B2RXH2 1/20 0.56
NR1I2 O75469 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
HTR1A P08908 1/20 0.56
TSHR P16473 1/20 0.56
CNR1 P21554 1/20 0.56
GLRA1 P23415 1/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL7225053 0.85 KCNH2 (0.61) KCNH2ADORA2AADORA1CYP3A4HTT
SCHEMBL7246401 0.81 KCNH2 (0.58) KCNH2ADORA2AADORA1CYP3A4HTT
SCHEMBL11904082 0.80 KCNH2 (0.65) KCNH2ADORA2AADORA1CYP3A4HTT
SCHEMBL11928628 0.80 KCNH2 (0.65) KCNH2ADORA2AADORA1CYP3A4HTT
SCHEMBL11904470 0.80 KCNH2 (0.65) KCNH2ADORA2AADORA1CYP3A4HTT
SCHEMBL8554946 0.80 KCNH2 (0.65) KCNH2ADORA2AADORA1CYP3A4HTT
SCHEMBL7219159 0.79 ADORA2A (0.69) KCNH2ADORA2AADORA1CYP3A4HTT
SCHEMBL7207241 0.79 KCNH2 (0.56) KCNH2ADORA2AADORA1CYP3A4HTT
SCHEMBL2791836 0.77 KCNH2 (0.44) KCNH2ADORA2AADORA1CYP3A4HTT
SCHEMBL7237409 0.77 KCNH2 (0.71) KCNH2ADORA2AADORA1CYP3A4HTT

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 KCNH2 2710/4885ADORA2A 4299/4885ADORA1 2625/4885

“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.