SCHEMBL4523665

SCHEMBL4523665

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.39
PDGFRA P16234 7/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
ALPL P05186 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDK2 Q15119 2/20 0.37
TDP2 O95551 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35

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
SCHEMBL4523245 0.86 AKR1C3 (0.40) PDGFRBPDGFRATDP2CYP1A2AKR1C3
SCHEMBL4526584 0.85 CYP1A2 (0.41) PDGFRBPDGFRAALDH1A1SMN1; SMN2TDP2
SCHEMBL29352059 0.85 PDGFRB (0.41) PDGFRBPDGFRATDP2CYP1A2AKR1C3
SCHEMBL29353363 0.85 PDGFRB (0.41) PDGFRBPDGFRATDP2CYP1A2AKR1C3
SCHEMBL4408718 0.85 PDGFRB (0.41) PDGFRBPDGFRATDP2CYP1A2AKR1C3
SCHEMBL4514362 0.84 TDP2 (0.38) PDGFRBPDGFRAALPLTDP2CYP1A2
SCHEMBL4524039 0.84 BIRC5 (0.46) PDGFRBPDGFRAALPLTDP2CYP1A2
SCHEMBL4528138 0.80 NPC1 (0.40) PDGFRBPDGFRATDP2CYP1A2AKR1C3
SCHEMBL4513995 0.79 AKR1C3 (0.38) PDGFRBPDGFRATDP2CYP1A2AKR1C3
SCHEMBL20010468 0.79 PDGFRB (0.44) PDGFRBPDGFRATDP2CYP1A2AKR1C3

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 4233/4885KDM4E 1830/4885

“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.