SCHEMBL3918554

SCHEMBL3918554

c1ccc(COc2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.60
TTK P33981 2/20 0.55
FGFR1 P11362 1/20 0.54
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
NTRK1 P04629 1/20 0.52
CLK2 P49760 1/20 0.51
CLK3 P49761 1/20 0.51
DYRK1A Q13627 1/20 0.51

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
SCHEMBL18446785 0.87 CLK2 (0.62) ITKTTKFGFR1CLK2CLK3
SCHEMBL3921587 0.83 ITK (0.68) ITKFGFR1
SCHEMBL3929306 0.83 ITK (0.51) ITKTTKFGFR1NTRK1CLK2
SCHEMBL5386440 0.82 TTK (0.72) TTKNTRK1CLK2DYRK1A
SCHEMBL3932593 0.82 HTR1D (0.51) ITKTTKPDGFRBNTRK1
SCHEMBL3922430 0.82 ITK (0.51) ITKFGFR1
SCHEMBL3919763 0.81 CLK2 (0.56) ITKFGFR1PDGFRBPDGFRANTRK1
SCHEMBL3532768 0.81 FGFR1 (0.61) ITKTTKFGFR1NTRK1CLK2
SCHEMBL3919807 0.80 KDR (0.52) ITKFGFR1PDGFRBPDGFRANTRK1
SCHEMBL18495498 0.80 WNT1 (0.62) ITKCLK2CLK3DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 EP disclosed
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 EP disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
CN-1894264-A Organophosphorous indazole derivatives and use thereof as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2007-01-10 CN disclosed
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2005-06-23 US 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-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products PPIP5K2, INPPL1, IP6K3 ITK 1443/4885TTK 3322/4885FGFR1 4023/4885

“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.