SCHEMBL3768008

SCHEMBL3768008

CO[C@H]1CN(c2ccnc3ccc(-c4c[nH]nc4-c4ccc(F)cc4)cc23)C[C@@H]1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.38
NCF1 P14598 2/20 0.38
PIK3CA P42336 6/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 3/20 0.35
SSTR2 P30874 2/20 0.34
MAPK14 Q16539 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
PRKDC P78527 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
MEN1 O00255 2/20 0.34

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
Hydrochloric Acid SCHEMBL3853437 0.99 CHRM4 (0.38) CHRM4NCF1PIK3CAALDH1A1CYP1A2
SCHEMBL13874139 0.87 CHRM4 (0.49) CHRM4NCF1PIK3CAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3845177 0.86 CHRM4 (0.48) CHRM4NCF1PIK3CAALDH1A1CYP1A2
SCHEMBL3768024 0.85 NCF1 (0.41) CHRM4NCF1PIK3CAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3853325 0.84 NCF1 (0.40) CHRM4NCF1PIK3CAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3845212 0.83 MAPKAPK2 (0.47) CHRM4NCF1PIK3CAALDH1A1CYP1A2
SCHEMBL3847140 0.80 CSNK1D (0.35) CHRM4NCF1PIK3CAALDH1A1CYP1A2
SCHEMBL3767072 0.76 ACVR1 (0.44) NCF1PIM1PIM3PIM2
Hydrochloric Acid SCHEMBL3848594 0.75 ACVR1 (0.44) NCF1PIM1PIM3PIM2
SCHEMBL3847142 0.73 CSNK1D (0.31) CSNK1DCSNK1EKCNH2

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-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2010-12-02 US claimed

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-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS ARG1, LPO, CTSL CHRM4 1206/4885NCF1 892/4885PIK3CA 3723/4885

“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.