SCHEMBL10195054

SCHEMBL10195054

O=C(c1ccc(-n2cc(-c3n[nH]c4cc(C(F)(F)F)ccc34)nn2)cc1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
MAP2K4 P45985 1/20 0.46
MAPK6 Q16659 1/20 0.46
MAPKAPK5 Q8IW41 1/20 0.46
STAT3 P40763 1/20 0.45
FGFR1 P11362 3/20 0.44
DDR2 Q16832 3/20 0.44
EPHX2 P34913 1/20 0.43
JAK2 O60674 1/20 0.43
MLYCD O95822 1/20 0.42
P2RY14 Q15391 2/20 0.41
OPRD1 P41143 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK10 P53779 5/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FLT3 P36888 2/20 0.41
MAPK8 P45983 2/20 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
SCHEMBL10194754 0.93 JAK2 (0.47) MAPK1MAP2K4MAPK6STAT3EPHX2
SCHEMBL10194762 0.89 ABL1 (0.45) MAPK1MAP2K4MAPK6EPHX2JAK2
SCHEMBL10196821 0.88 JAK2 (0.46) FGFR1JAK2MAPK10HPGDSMN1; SMN2
SCHEMBL9952517 0.87 JAK2 (0.45) JAK2MAPK10HPGDSMN1; SMN2FLT3
SCHEMBL10194705 0.87 JAK2 (0.45) JAK2MAPK10HPGDSMN1; SMN2FLT3
SCHEMBL10194710 0.87 PHGDH (0.46) MAP2K4JAK2MAPK10HPGDSMN1; SMN2
SCHEMBL10194923 0.86 JAK2 (0.44) JAK2MAPK10HPGDSMN1; SMN2FLT3
SCHEMBL10194768 0.85 FLT3 (0.55) MAP2K4MAPK6MAPKAPK5FGFR1DDR2
SCHEMBL10194789 0.85 MAPK10 (0.47) STAT3JAK2MAPK10HPGDSMN1; SMN2
SCHEMBL10194818 0.84 JAK2 (0.43) JAK2MAPK10HPGDSMN1; SMN2FLT3

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 MAPK1 1717/4885MAP2K4 3270/4885MAPK6 1588/4885

“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.