SCHEMBL10194757

SCHEMBL10194757

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
FLT3 P36888 6/20 0.47
MAPK14 Q16539 1/20 0.45
MAPK10 P53779 3/20 0.44
KDM4E B2RXH2 1/20 0.41
LRRK2 Q5S007 2/20 0.41
AHR P35869 1/20 0.41
EPHX2 P34913 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPK8 P45983 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL10194762 0.93 ABL1 (0.45) JAK2FLT3MAPK14MAPK10KDM4E
SCHEMBL10194763 0.90 JAK2 (0.50) JAK2FLT3MAPK14MAPK10KDM4E
SCHEMBL10194764 0.89 JAK2 (0.49) JAK2FLT3MAPK10KDM4ELRRK2
SCHEMBL9951916 0.89 JAK2 (0.49) JAK2FLT3MAPK10LRRK2ABL1
SCHEMBL10194781 0.89 JAK2 (0.49) JAK2FLT3MAPK10KDM4ELRRK2
SCHEMBL10194754 0.89 JAK2 (0.47) JAK2FLT3MAPK10LRRK2EPHX2
SCHEMBL10194768 0.88 FLT3 (0.55) JAK2FLT3MAPK10LRRK2ABL1
SCHEMBL10194698 0.88 MAPK10 (0.49) JAK2FLT3MAPK14MAPK10KDM4E
SCHEMBL10194756 0.85 L3MBTL3 (0.45) FLT3MAPK14MAPK10ABL1BCR
SCHEMBL17850421 0.85 MAPK14 (0.41) FLT3MAPK14MAPK10ABL1BCR

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 66/4885FLT3 282/4885MAPK14 784/4885

“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.