SCHEMBL9952698

SCHEMBL9952698

CC(C)(C)OC(=O)N1CCC(Cc2ccc3[nH]nc(-c4cn(-c5ccc(C(=O)N6CCOCC6)cc5)nn4)c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.41
MAPK10 P53779 1/20 0.40
GRM1 Q13255 3/20 0.39
GPR119 Q8TDV5 7/20 0.39
GRM5 P41594 2/20 0.39
JAK2 O60674 1/20 0.39
GAA P10253 1/20 0.38
LRRK2 Q5S007 1/20 0.37
LMNA P02545 1/20 0.37
TGFBR1 P36897 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
SCHEMBL15312439 0.88 FLT3 (0.43) FLT3GRM1GPR119GRM5JAK2
Hydrochloric Acid SCHEMBL9951746 0.88 FLT3 (0.42) FLT3GRM1GPR119GRM5JAK2
SCHEMBL10195810 0.87 FLT3 (0.49) FLT3MAPK10JAK2GAALRRK2
Hydrochloric Acid SCHEMBL9958483 0.86 FLT3 (0.48) FLT3MAPK10JAK2GAALRRK2
SCHEMBL10194698 0.82 MAPK10 (0.49) FLT3MAPK10JAK2GAALRRK2
SCHEMBL10194932 0.79 MAPK10 (0.45) FLT3MAPK10JAK2GAALRRK2
SCHEMBL10194972 0.79 FLT3 (0.46) FLT3MAPK10JAK2LRRK2
SCHEMBL10194781 0.79 JAK2 (0.49) FLT3MAPK10JAK2LRRK2
SCHEMBL10195564 0.78 FLT3 (0.43) FLT3LRRK2
SCHEMBL10196787 0.78 MAPK10 (0.41) FLT3MAPK10JAK2LRRK2

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 FLT3 282/4885MAPK10 1774/4885GRM1 3003/4885

“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.