SCHEMBL10195056

SCHEMBL10195056

FC(F)(F)c1ccc2c(-c3cn(-c4ccc(C5CCNCC5)cc4)nn3)n[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 15/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
OPRD1 P41143 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
HTR2C P28335 2/20 0.44
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
TRPA1 O75762 1/20 0.40
MAP2K4 P45985 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
SCHEMBL10194983 0.87 P2RY14 (0.47) P2RY14ADRA2AADRA2BADRA2COPRD1
SCHEMBL10194995 0.85 P2RY14 (0.49) P2RY14ADRA2AADRA2BADRA2COPRD1
SCHEMBL10195395 0.84 P2RY14 (0.46) P2RY14ADRA2AADRA2BADRA2COPRD1
Hydrochloric Acid SCHEMBL9959222 0.83 P2RY14 (0.46) P2RY14ADRA2AADRA2BADRA2COPRD1
SCHEMBL10194878 0.81 P2RY14 (0.44) P2RY14ADRA2AADRA2BADRA2COPRD1
SCHEMBL10194743 0.78 P2RY14 (0.39) P2RY14ADRA2AADRA2BADRA2COPRD1
SCHEMBL10194980 0.77 HTR2C (0.42) P2RY14ADRA2AADRA2BADRA2COPRD1
Tert-Butyl Formate SCHEMBL27945225 0.76 P2RY14 (0.43) P2RY14ADRA2AADRA2BADRA2COPRD1
SCHEMBL10194871 0.76 TLR9 (0.41) P2RY14ADRA2AADRA2BADRA2COPRD1
SCHEMBL10195053 0.75 STAT3 (0.44) FGFR1FLT1TRPA1MAP2K4

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 P2RY14 2361/4885ADRA2A 2876/4885ADRA2B 1984/4885

“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.