SCHEMBL3929570

SCHEMBL3929570

CC(C)(C)OC(=O)n1nc(-c2cc3cc(OCCN4CCOCC4)ccc3n2C(=O)OC(C)(C)C)c2cc(OP(C)(=O)c3ccccc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.39
▸ ATR Q13535 2/20 0.39
▸ ATRIP Q8WXE1 2/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 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
SCHEMBL3923334 0.88 MCHR1 (0.44) BRD4ATRATRIPNR1H2FGFR1
SCHEMBL3923323 0.86 BRD4 (0.43) BRD4ATRATRIPNR1H2PDGFRB
SCHEMBL3923435 0.83 GPR4 (0.41) ATRATRIPNR1H2
SCHEMBL3929576 0.83 BRD4 (0.39) BRD4ATRATRIPNR1H2FGFR1
SCHEMBL3919827 0.81 GPR4 (0.42) NR1H2KDM4E
SCHEMBL3921357 0.78 GPR4 (0.43) ATRATRIPNR1H2
SCHEMBL3923439 0.77 GPR4 (0.40) ATRATRIPNR1H2
SCHEMBL13844049 0.76 ATR (0.44) BRD4ATRATRIPNR1H2PDGFRB
SCHEMBL3920962 0.75 NR1H2 (0.45) NR1H2
SCHEMBL3921577 0.75 NR1H2 (0.45) NR1H2

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 5 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
EP-1732938-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 — — EP disclosed
WO-2005058923-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-06-30 — — WO 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 BRD4 609/4885ATR 128/4885ATRIP 479/4885

“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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