SCHEMBL10194964

SCHEMBL10194964

Cc1ccc2c(-c3cn(-c4ccc([C@@H]5C[C@H]6CCC[C@@H](C5)N6C)cc4)nn3)n[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.35
ITK Q08881 4/20 0.34
FLT3 P36888 3/20 0.34
MAP4K1 Q92918 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
OPRD1 P41143 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
JAK2 O60674 2/20 0.32
ROCK2 O75116 2/20 0.32
GSK3B P49841 2/20 0.32
AXL P30530 1/20 0.32
MIF P14174 1/20 0.32
MAP3K5 Q99683 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ACKR3 P25106 1/20 0.31

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
SCHEMBL10194860 0.90 FGFR1 (0.39) P2RY14ITKFLT3ADRA2AADRA2B
SCHEMBL10194867 0.89 GRM4 (0.38) P2RY14FLT3ADRA2AADRA2BADRA2C
SCHEMBL10196959 0.86 HTR2A (0.39) P2RY14ITKFLT3ADRA2AADRA2B
SCHEMBL17850463 0.86 HTR2A (0.39) P2RY14ITKFLT3ADRA2AADRA2B
SCHEMBL10194801 0.85 GRM4 (0.39) P2RY14FLT3ADRA2AADRA2BADRA2C
SCHEMBL10196871 0.85 GRM4 (0.39) P2RY14FLT3ADRA2AADRA2BADRA2C
SCHEMBL10194995 0.84 P2RY14 (0.49) P2RY14ITKFLT3ADRA2AADRA2B
SCHEMBL15317774 0.80 AXL (0.34) P2RY14ITKGSK3BAXLMAP3K5
SCHEMBL10195050 0.80 TLR9 (0.39) P2RY14MAP4K1ACKR3
SCHEMBL10194871 0.78 TLR9 (0.41) P2RY14ITKADRA2AADRA2BADRA2C

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 2361/4885ITK 368/4885FLT3 282/4885

“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.