SCHEMBL4518645

SCHEMBL4518645

CC1(C)Cc2c(NC(=O)c3cccc(F)c3)cccc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
WDR5 P61964 1/20 0.43
TP53 P04637 3/20 0.42
ABL1 P00519 1/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
MAP4K4 O95819 1/20 0.40
CSNK1G2 P78368 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
MAPT P10636 3/20 0.40
BRAF P15056 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4513529 0.93 KDM4E (0.43) SERPINE1WDR5ABL1RARARARB
SCHEMBL4516345 0.93 KDR (0.47) SERPINE1WDR5RARARARBRARG
SCHEMBL4522002 0.88 POLB (0.43) SERPINE1TP53ABL1RAB9ASMN1; SMN2
SCHEMBL4516876 0.86 MAP4K4 (0.42) SERPINE1WDR5TP53RARARARB
Oxalic Acid SCHEMBL4521269 0.80 AKR1C3 (0.48) RARARARBRARGRAB9ASMN1; SMN2
SCHEMBL29678248 0.79 AKR1C3 (0.43) CYP1A2SMN1; SMN2MAP4K4CSNK1G2CLK4
SCHEMBL4405493 0.79 AKR1C3 (0.43) CYP1A2SMN1; SMN2MAP4K4CSNK1G2CLK4
SCHEMBL4523654 0.79 AKR1C3 (0.43) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL4527360 0.79 NR2F2 (0.40) SERPINE1WDR5RARARARBRARG
Hydrochloric Acid SCHEMBL4510693 0.78 AKR1C3 (0.43) SMN1; SMN2MAP4K4CSNK1G2CLK4MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1736471-B1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES MITSUI CHEMICALS AGRO INC (JP) 2014-01-08 EP disclosed
US-7632783-B2 fungicides, pesticides for protecting rice crop, tomatoes, cucumbers and green beans; 3-(5-fluoro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)quinoline MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-15 US disclosed
CN-100556904-C 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2009-11-04 CN disclosed
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US disclosed
CN-1910172-A 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2007-02-07 CN disclosed
EP-1736471-A1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES Sankyo Agro Company, Limited (JP) 2006-12-27 EP 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-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound QTRT1, RABL3, RECQL SERPINE1 4318/4885CYP1A2 171/4885CYP3A4 573/4885

“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.