SCHEMBL10194754

SCHEMBL10194754

O=C(c1ccc(-n2cc(-c3n[nH]c4ccc(C(F)(F)F)cc34)nn2)cc1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
MAP2K4 P45985 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPKAPK3 Q16644 1/20 0.46
MAPK6 Q16659 1/20 0.46
FLT3 P36888 5/20 0.46
EPHX2 P34913 1/20 0.46
STAT3 P40763 1/20 0.45
MAPK10 P53779 6/20 0.43
MLYCD O95822 1/20 0.42
MAPK8 P45983 3/20 0.42
LRRK2 Q5S007 1/20 0.41
OPRD1 P41143 1/20 0.41
P2RY14 Q15391 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL10195054 0.93 MAPK1 (0.46) JAK2MAP2K4MAPK1MAPK6FLT3
SCHEMBL10194757 0.89 JAK2 (0.49) JAK2FLT3EPHX2MAPK10MAPK8
SCHEMBL10194763 0.88 JAK2 (0.50) JAK2FLT3MAPK10LRRK2
SCHEMBL10194764 0.87 JAK2 (0.49) JAK2FLT3MAPK10MAPK8LRRK2
SCHEMBL10194781 0.87 JAK2 (0.49) JAK2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL9951916 0.87 JAK2 (0.49) JAK2FLT3MAPK10MAPK8LRRK2
SCHEMBL10194758 0.87 ATR (0.46) MAP2K4MAPK1MAPKAPK3MAPK6FLT3
SCHEMBL10194768 0.85 FLT3 (0.55) JAK2MAP2K4MAPK6FLT3MAPK10
SCHEMBL10194698 0.85 MAPK10 (0.49) JAK2FLT3MAPK10LRRK2
SCHEMBL10194762 0.83 ABL1 (0.45) JAK2MAP2K4MAPK1MAPK6FLT3

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 JAK2 66/4885MAP2K4 3270/4885MAPK1 1717/4885

“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.