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SCHEMBL9952464

SCHEMBL9952464

COC(=O)c1ccc(-n2cc(-c3nn(C(=O)OC(C)(C)C)c4ccc(C)cc34)nn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 7/20 0.42
▸ GRM5 P41594 6/20 0.42
▸ PSMD10 O75832 1/20 0.40
▸ MAP2K4 P45985 1/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ AURKA O14965 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GPR119 Q8TDV5 3/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ AURKB Q96GD4 1/20 0.34
▸ NOTUM Q6P988 2/20 0.34

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
SCHEMBL9951836 0.88 GRM1 (0.38) GRM1GRM5PSMD10MAP2K4DHODH
SCHEMBL10195459 0.79 MEN1 (0.46) GRM1DHODHPOLBMAPTKMT2A
SCHEMBL22801674 0.77 MAP2K4 (0.51) MAP2K4CA12CA1CA2CA9
SCHEMBL9952470 0.76 DHODH (0.42) PSMD10DHODHAURKAPOLBL3MBTL1
SCHEMBL9952570 0.74 GRM1 (0.40) GRM1GRM5MAP2K4GPR119KDM4E
SCHEMBL4783390 0.72 KDM4E (0.43) MAP2K4CA12CA1CA2CA9
SCHEMBL22801557 0.72 MAP2K4 (0.60) MAP2K4GPR119
SCHEMBL25994433 0.71 MAP2K4 (0.56) MAP2K4DHODHPOLBL3MBTL1KDM4E
SCHEMBL22801831 0.71 MAP2K4 (0.67) MAP2K4MAPT
SCHEMBL27945234 0.70 DHODH (0.37) PSMD10DHODHAURKAKMT2AAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 — — EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — 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 (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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 GRM1 3003/4885GRM5 2465/4885PSMD10 4454/4885

“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.