SCHEMBL10194685

SCHEMBL10194685

CC1(C)CN(Cc2ccc(-n3cc(-c4n[nH]c5cc(F)ccc45)nn3)cc2)CCO1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.36
GRM4 Q14833 1/20 0.36
HTR2A P28223 1/20 0.36
GRM2 Q14416 1/20 0.35
CHEK1 O14757 4/20 0.34
MAPK1 P28482 2/20 0.34
PDE10A Q9Y233 1/20 0.34
MIF P14174 1/20 0.34
CDK7 P50613 3/20 0.33
MAP2K4 P45985 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
MAPK6 Q16659 1/20 0.33
PDE1B Q01064 1/20 0.33
FLT3 P36888 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL10196788 0.91 PDE10A (0.36) LRRK2GRM4GRM2CHEK1PDE10A
SCHEMBL17850444 0.86 LRRK2 (0.38) LRRK2GRM4HTR2AGRM2CHEK1
SCHEMBL10194689 0.79 S1PR1 (0.38) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL10194690 0.76 FGFR1 (0.37) HTR2ACHEK1MAPK1CDK7MAP2K4
SCHEMBL10195053 0.76 STAT3 (0.44) CHEK1PDE10ACDK7MAP2K4FLT3
SCHEMBL10194970 0.74 JAK2 (0.47) LRRK2FLT3AURKB
SCHEMBL10194780 0.73 JAK2 (0.48) LRRK2CHEK1MIFCDK7MAP2K4
SCHEMBL10194762 0.71 ABL1 (0.45) LRRK2MAPK1MAP2K4MAPK6FLT3
SCHEMBL10194895 0.71 JAK2 (0.48) LRRK2CHEK1MIFCDK7
SCHEMBL10194951 0.71 HTR2A (0.37) HTR2AMAPK1MAP2K4MAPKAPK2MAPKAPK3

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 LRRK2 2651/4885GRM4 3082/4885HTR2A 4521/4885

“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.