SCHEMBL3920838

SCHEMBL3920838

O=[N+]([O-])c1ccc(OP(=O)(Oc2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 17/20 0.49
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ FGFR1 P11362 1/20 0.45
▸ CYP19A1 P11511 1/20 0.40

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
SCHEMBL3923060 0.85 ITK (0.56) ITKFGFR1
SCHEMBL3919611 0.82 ITK (0.58) ITKFGFR1
SCHEMBL3920836 0.82 ITK (0.54) ITKFGFR1
SCHEMBL3920074 0.81 ITK (0.60) ITKFGFR1
SCHEMBL3922430 0.81 ITK (0.51) ITKFGFR1
SCHEMBL5712167 0.81 ITK (0.51) ITKMAPTHPGDFGFR1
SCHEMBL3920798 0.81 ITK (0.58) ITKFGFR1
SCHEMBL3923370 0.78 ITK (0.62) ITKFGFR1
SCHEMBL3923381 0.76 ITK (0.59) ITKFGFR1
SCHEMBL3924166 0.76 ITK (0.56) ITKFGFR1

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 3 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
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 — — US 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 1443/4885MAPT 3297/4885HPGD 1882/4885

“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.

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