Sugi Predict

Sugi Predict / Compounds / SCHEMBL9952517

SCHEMBL9952517

SCHEMBL9952517

O=C(c1ccc(-n2cc(-c3n[nH]c4cc(Br)ccc34)nn2)cc1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ FLT3 P36888 5/20 0.42
▸ MAPK10 P53779 2/20 0.42
▸ PIK3CA P42336 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ AXL P30530 1/20 0.39
▸ MAPK8 P45983 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9951916 0.93 JAK2 (0.49) JAK2ABL1BCRFLT3MAPK10
SCHEMBL10196821 0.91 JAK2 (0.46) JAK2FLT3MAPK10PIK3CAALDH1A1
SCHEMBL10194705 0.89 JAK2 (0.45) JAK2ABL1BCRFLT3MAPK10
SCHEMBL10194762 0.89 ABL1 (0.45) JAK2ABL1BCRFLT3MAPK10
SCHEMBL10194710 0.89 PHGDH (0.46) JAK2FLT3MAPK10PIK3CAALDH1A1
SCHEMBL10194923 0.88 JAK2 (0.44) JAK2ABL1BCRFLT3MAPK10
SCHEMBL10194768 0.88 FLT3 (0.55) JAK2ABL1BCRFLT3MAPK10
SCHEMBL10194789 0.88 MAPK10 (0.47) JAK2FLT3MAPK10PIK3CAALDH1A1
SCHEMBL10195511 0.87 JAK2 (0.43) JAK2ABL1BCRFLT3MAPK10
SCHEMBL10194818 0.87 JAK2 (0.43) JAK2ABL1BCRFLT3MAPK10

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
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
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 JAK2 66/4885ABL1 294/4885BCR 1018/4885

“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.