SCHEMBL4522002

SCHEMBL4522002

CC1(C)Cc2c(NC(=O)c3ccccc3F)cccc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
MAPT P10636 2/20 0.43
ABL1 P00519 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
KDR P35968 4/20 0.39
SERPINE1 P05121 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
DYRK1A Q13627 3/20 0.37
GSK3B P49841 2/20 0.37

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
SCHEMBL4518645 0.88 SERPINE1 (0.44) POLBMAPTABL1AKR1C3AKR1C2
SCHEMBL4513529 0.88 KDM4E (0.43) MAPTABL1AKR1C3AKR1C2KDR
SCHEMBL4516345 0.87 KDR (0.47) AKR1C3AKR1C2KDRSERPINE1KDM4E
SCHEMBL4516876 0.86 MAP4K4 (0.42) AKR1C3AKR1C2SERPINE1KDM4ESMN1; SMN2
Oxalic Acid SCHEMBL4521269 0.83 AKR1C3 (0.48) AKR1C3AKR1C2KDM4ESMN1; SMN2NPC1
SCHEMBL4405493 0.83 AKR1C3 (0.43) AKR1C3AKR1C2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL29678248 0.83 AKR1C3 (0.43) AKR1C3AKR1C2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4527360 0.82 NR2F2 (0.40) AKR1C3AKR1C2KDRSERPINE1
SCHEMBL4523654 0.82 AKR1C3 (0.43) AKR1C3AKR1C2KDM4E
Hydrochloric Acid SCHEMBL4510693 0.82 AKR1C3 (0.43) AKR1C3AKR1C2SMN1; SMN2ALDH1A1KMT2A

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 POLB 3600/4885MAPT 4104/4885ABL1 271/4885

“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.