SCHEMBL10195053

SCHEMBL10195053

FC(F)(F)c1ccc2c(-c3cn(-c4ccc(CN5CCOCC5)cc4)nn3)n[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.44
S1PR1 P21453 1/20 0.44
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 2/20 0.43
CHEK1 O14757 9/20 0.42
CDK7 P50613 7/20 0.42
JAK2 O60674 1/20 0.41
FLT3 P36888 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAP2K4 P45985 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CNR2 P34972 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL10194970 0.85 JAK2 (0.47) JAK2FLT3AURKBFGFR1FLT1
SCHEMBL10195054 0.82 MAPK1 (0.46) STAT3JAK2FLT3MAP2K4FGFR1
SCHEMBL10194780 0.81 JAK2 (0.48) CHEK1CDK7JAK2MAP2K4
SCHEMBL10194895 0.81 JAK2 (0.48) CHEK1CDK7JAK2
SCHEMBL27945246 0.78 JAK2 (0.45) S1PR1CHEK1CDK7JAK2FLT3
SCHEMBL9952325 0.78 CHEK1 (0.46) CHEK1CDK7JAK2FLT3
SCHEMBL10194685 0.76 LRRK2 (0.36) CHEK1CDK7FLT3AURKBMAP2K4
SCHEMBL10194754 0.76 JAK2 (0.47) STAT3JAK2FLT3MAP2K4
SCHEMBL10194787 0.75 CHEK1 (0.57) STAT3CHEK1CDK7JAK2FLT3
SCHEMBL27945242 0.75 LRRK2 (0.43) STAT3S1PR1CHEK1CDK7JAK2

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 6 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-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 STAT3 149/4885S1PR1 1280/4885HIF1A 1662/4885

“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.