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SCHEMBL10194972

SCHEMBL10194972

CC(=O)N1CCC(c2ccc3[nH]nc(-c4cn(-c5ccc(C(=O)N6CCOCC6)cc5)nn4)c3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.46
▸ JAK2 O60674 1/20 0.43
▸ LRRK2 Q5S007 3/20 0.42
▸ HTR2B P41595 1/20 0.40
▸ MAPK10 P53779 1/20 0.39
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ TLR9 Q9NR96 4/20 0.38
▸ TLR8 Q9NR97 4/20 0.38
▸ TLR7 Q9NYK1 4/20 0.38
▸ PRKAB2 O43741 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAG3 Q9UGI9 1/20 0.37
▸ PRKAG2 Q9UGJ0 1/20 0.37
▸ PRKAB1 Q9Y478 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
SCHEMBL10194806 0.93 FLT3 (0.45) FLT3JAK2LRRK2HTR2BMAPK10
SCHEMBL10194863 0.91 FLT3 (0.49) FLT3JAK2LRRK2MAPK10
Hydrochloric Acid SCHEMBL9951818 0.90 FLT3 (0.48) FLT3JAK2LRRK2MAPK10
SCHEMBL15312439 0.90 FLT3 (0.43) FLT3JAK2LRRK2TLR9TLR8
Hydrochloric Acid SCHEMBL9951746 0.89 FLT3 (0.42) FLT3JAK2LRRK2TLR9TLR8
SCHEMBL10194739 0.89 FLT3 (0.43) FLT3JAK2LRRK2HTR2BMAPK10
SCHEMBL10196691 0.88 FLT3 (0.43) FLT3JAK2LRRK2HTR2BCCNC
SCHEMBL10194925 0.87 FLT3 (0.47) FLT3JAK2LRRK2MAPK10
SCHEMBL10194781 0.84 JAK2 (0.49) FLT3JAK2LRRK2MAPK10
SCHEMBL10194700 0.83 L3MBTL3 (0.43) FLT3HTR2BCCNCCDK8TLR9

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 FLT3 282/4885JAK2 66/4885LRRK2 2651/4885

“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.