SCHEMBL30430504

SCHEMBL30430504

O=c1[nH][nH]c2ccc3c(c12)CCCN3

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.58
GRIA2 P42262 1/20 0.58
GRIA3 P42263 1/20 0.58
GRIA4 P48058 1/20 0.58
PARP1 P09874 11/20 0.36
PRKD1 Q15139 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PLK4 O00444 1/20 0.33
MAPK9 P45984 1/20 0.33
LIMK1 P53667 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
AKT3 Q9Y243 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NOTUM Q6P988 1/20 0.33
OR51E2 Q9H255 1/20 0.32

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
SCHEMBL6781370 0.73 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL4929162 0.73 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL7103933 0.68 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL6786083 0.67 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL4510825 0.63 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL21187595 0.63 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL29697758 0.63 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL29987830 0.63 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL7098571 0.63 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL20572256 0.62 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312562-A1 TETRAHYDRO-3H-PYRAZOLO QUINOLONE AND TETRAHYDRO-3H-PYRROLO[3,2-F]QUINOLINE -CONTAINING COMPOUNDS AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-10-05 US disclosed
EP-4175637-A2 TETRAHYDRO-3H-PYRAZOLO QUINOLONE AND TETRAHYDRO-3H-PYRROLO[3,2-F]QUINOLINE-CONTAINING COMPOUNDS AND USES THEREOF Purdue Research Foundation (US) 2023-05-10 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-20230312562-A1 TETRAHYDRO-3H-PYRAZOLO QUINOLONE AND TETRAHYDRO-3H-PYRROLO[3,2-F]QUINOLINE -CONTAINING COMPOUNDS AND USES THEREOF TUBB3, TUBA1C, TUBB1 GRIA1 1716/4885GRIA2 1702/4885GRIA3 1061/4885

“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.