Sugi Predict

Sugi Predict / Compounds / SCHEMBL9951836

SCHEMBL9951836

SCHEMBL9951836

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 5/20 0.38
▸ GRM5 P41594 4/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ MAP2K4 P45985 1/20 0.37
▸ S1PR1 P21453 2/20 0.35
▸ AURKA O14965 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PSMD10 O75832 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ RIPK3 Q9Y572 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9952470 0.89 DHODH (0.42) DHODHS1PR1AURKAPSMD10AURKB
SCHEMBL9952464 0.88 GRM1 (0.42) GRM1GRM5DHODHMAP2K4AURKA
SCHEMBL10195459 0.82 MEN1 (0.46) GRM1DHODHS1PR1HDAC1
SCHEMBL9952570 0.78 GRM1 (0.40) GRM1GRM5MAP2K4GPR119SMN1; SMN2
SCHEMBL27945234 0.78 DHODH (0.37) DHODHS1PR1AURKAPSMD10AURKB
SCHEMBL9951874 0.72 GAA (0.41) GRM1GRM5PKMGPR119
SCHEMBL9952705 0.72 GAA (0.38) GRM1GRM5PKMGPR119
SCHEMBL9952549 0.71 MEN1 (0.51) DHODHHDAC1
Tert-Butyl Formate SCHEMBL27945235 0.69 DHODH (0.39) DHODHMAP2K4S1PR1AURKAPSMD10
SCHEMBL27945259 0.69 MEN1 (0.46) DHODHS1PR1AURKAHDAC1

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 9 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
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 2465/4885DHODH 2699/4885

“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.