SCHEMBL2830502

SCHEMBL2830502

NC(=C1C(=O)Nc2ccc(Br)cc21)c1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 3/20 0.46
▸ CES1 P23141 2/20 0.46
▸ CCNB2 O95067 3/20 0.45
▸ CDK1 P06493 3/20 0.45
▸ CCNB1 P14635 3/20 0.45
▸ CCNB3 Q8WWL7 3/20 0.45
▸ HSP90AA1 P07900 2/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LRRK2 Q5S007 2/20 0.38
▸ PLK4 O00444 2/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ RAF1 P04049 3/20 0.37
▸ MAP1LC3B Q9GZQ8 3/20 0.37
▸ EGFR P00533 2/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ ARAF P10398 1/20 0.37
▸ PIM1 P11309 1/20 0.37

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
SCHEMBL13207339 1.00 TGM2 (0.46) TGM2CES1CCNB2CDK1CCNB1
SCHEMBL2830498 1.00 TGM2 (0.46) TGM2CES1CCNB2CDK1CCNB1
SCHEMBL25684746 0.86 PDPK1 (0.47) TGM2CES1CCNB2CDK1CCNB1
SCHEMBL25684457 0.86 TGM2 (0.47) TGM2CES1CCNB2CDK1CCNB1
SCHEMBL2826461 0.86 TGM2 (0.49) TGM2CES1CCNB2CDK1CCNB1
SCHEMBL2826458 0.86 TGM2 (0.49) TGM2CES1CCNB2CDK1CCNB1
SCHEMBL13207335 0.86 TGM2 (0.49) TGM2CES1CCNB2CDK1CCNB1
SCHEMBL2826131 0.85 CCNB2 (0.56) TGM2CES1CCNB2CDK1CCNB1
SCHEMBL2826129 0.85 CCNB2 (0.56) TGM2CES1CCNB2CDK1CCNB1
SCHEMBL13207326 0.85 CCNB2 (0.56) TGM2CES1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781475-B2 Oxindoles as kinase inhibitors MERCK PATENT GMBH (DE) 2010-08-24 — — US claimed
US-20100197757-A1 OXINDOLES AS KINASE INHIBITORS BURGDORF LARS THORE 2010-08-05 — — US claimed
US-20090131506-A1 Oxindoles as Kinase Inhibitors MERCK PATENT GMBH (DE) 2009-05-21 — — US claimed
EP-1891008-A1 OXINDOLES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2008-02-27 — — EP claimed
WO-2006131186-A1 OXINDOLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2006-12-14 — — WO claimed
US-7781475-B2 Oxindoles as kinase inhibitors MERCK PATENT GMBH (DE) 2010-08-24 — — US disclosed
US-20100197757-A1 OXINDOLES AS KINASE INHIBITORS BURGDORF LARS THORE 2010-08-05 — — US disclosed
EP-1891008-B1 OXINDOLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2010-06-30 — — EP disclosed
US-20090131506-A1 Oxindoles as Kinase Inhibitors MERCK PATENT GMBH (DE) 2009-05-21 — — US disclosed
EP-1891008-A1 OXINDOLES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2008-02-27 — — EP disclosed
WO-2006131186-A1 OXINDOLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2006-12-14 — — WO 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 (2 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-20100197757-A1 OXINDOLES AS KINASE INHIBITORS MAP4K2, MAP3K20, MAP3K1 TGM2 4073/4885CES1 3526/4885CCNB2 741/4885
US-20090131506-A1 Oxindoles as Kinase Inhibitors MAP4K2, MAP3K20, MAP3K1 TGM2 4073/4885CES1 3526/4885CCNB2 741/4885

“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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