SCHEMBL4524707

SCHEMBL4524707

COc1ccc2c(c1)CC(C)(C)N=C2c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.40
PDGFRA P16234 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ALPL P05186 3/20 0.40
TDP2 O95551 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
NR2F2 P24468 1/20 0.39
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
DYRK1A Q13627 2/20 0.38
CNR2 P34972 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
EGFR P00533 1/20 0.38
ACHE P22303 1/20 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
SCHEMBL15910667 0.87 PDGFRB (0.48) PDGFRBPDGFRALMNASMN1; SMN2KDM4E
SCHEMBL4533531 0.85 CYP1A2 (0.42) PDGFRBPDGFRALMNASMN1; SMN2KDM4E
SCHEMBL4521246 0.85 AKR1C3 (0.44) PDGFRBPDGFRALMNATDP2ALDH1A1
SCHEMBL4522982 0.85 LMNA (0.50) PDGFRBPDGFRALMNASMN1; SMN2KDM4E
SCHEMBL4530771 0.84 TDP2 (0.41) PDGFRBPDGFRALMNAKDM4EHPGD
SCHEMBL4526559 0.84 BIRC5 (0.47) PDGFRBPDGFRALMNASMN1; SMN2KDM4E
SCHEMBL4529286 0.78 NPC1 (0.42) PDGFRBPDGFRALMNATDP2ALDH1A1
SCHEMBL4531880 0.78 CYP1A2 (0.42) PDGFRBPDGFRALMNASMN1; SMN2KDM4E
SCHEMBL4526234 0.78 PDGFRB (0.40) PDGFRBPDGFRALMNASMN1; SMN2KDM4E
SCHEMBL4512517 0.78 AKR1C3 (0.42) PDGFRBPDGFRALMNASMN1; SMN2KDM4E

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 4 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
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US 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 PDGFRB 4549/4885PDGFRA 4233/4885LMNA 2721/4885

“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.