SCHEMBL4526682

SCHEMBL4526682

c1ccc2c(c1)CC1(CCCCC1)N=C2c1cnc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.40
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
CYP2A6 P11509 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
BIRC5 O15392 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
NR2F2 P24468 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
ALDH1A1 P00352 2/20 0.36
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
HTR3A P46098 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4521786 1.00 TDP2 (0.40) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4523901 0.99 PDGFRB (0.40) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4524091 0.89 NPC1 (0.40) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4530842 0.89 AKR1C3 (0.42) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4521910 0.88 ATR (0.40) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4522211 0.88 TDP2 (0.39) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4512390 0.88 BIRC5 (0.44) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4525297 0.88 ALDH1A1 (0.39) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4513546 0.88 TDP2 (0.39) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4530670 0.88 NPC1 (0.39) TDP2PDGFRBPDGFRACYP2A6NISCH

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 TDP2 1584/4885PDGFRB 4549/4885PDGFRA 4233/4885

“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.