Sugi Predict

Sugi Predict / Compounds / SCHEMBL10194984

SCHEMBL10194984

SCHEMBL10194984

O=C(c1ccc(-n2cc(-c3n[nH]c4ccc(C5=CCN(Cc6ccccc6)CC5)cc34)nn2)cc1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 8/20 0.44
▸ HIPK2 Q9H2X6 4/20 0.44
▸ ROCK2 O75116 3/20 0.44
▸ MAP4K4 O95819 3/20 0.44
▸ PIM1 P11309 3/20 0.44
▸ IRAK4 Q9NWZ3 3/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ MAPK10 P53779 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ PRKACA P17612 2/20 0.40
▸ MKNK2 Q9HBH9 2/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ FLT3 P36888 5/20 0.38
▸ LRRK2 Q5S007 2/20 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
SCHEMBL10195385 0.87 CDC7 (0.42) CDC7HIPK2ROCK2MAP4K4PIM1
SCHEMBL10194969 0.86 JAK2 (0.48) JAK2MAPK10FLT3LRRK2
SCHEMBL10194768 0.80 FLT3 (0.55) HIPK2ROCK2MAP4K4IRAK4JAK2
SCHEMBL10194698 0.79 MAPK10 (0.49) JAK2MAPK10ALDH1A1FLT3LRRK2
SCHEMBL10194932 0.79 MAPK10 (0.45) JAK2MAPK10FLT3LRRK2CHEK1
SCHEMBL17850441 0.79 GRM1 (0.38) JAK2MAPK10ALDH1A1FLT3LRRK2
SCHEMBL10194781 0.79 JAK2 (0.49) JAK2MAPK10ALDH1A1FLT3LRRK2
SCHEMBL10194764 0.79 JAK2 (0.49) JAK2MAPK10ALDH1A1FLT3LRRK2
SCHEMBL10194924 0.78 JAK2 (0.52) JAK2MAPK10ALDH1A1FLT3LRRK2
SCHEMBL10194795 0.78 JAK2 (0.44) JAK2MAPK10GSK3BFLT3LRRK2

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
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
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 CDC7 1831/4885HIPK2 1519/4885ROCK2 1273/4885

“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.