SCHEMBL4084249

SCHEMBL4084249

N#Cc1ccc2c(c1)c(-c1ccc3cc(OCCc4ccccn4)ccc3c1)nn2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.39
HTR6 P50406 1/20 0.39
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
ALOX5AP P20292 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
ATR Q13535 2/20 0.34
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
CMKLR1 Q99788 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM1A O60341 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL4047351 0.93 CYP4F2 (0.40) HRH1HTR6CYP4F2CYP4A11ALOX5AP
SCHEMBL4080004 0.87 CYP11B2 (0.38) CYP4F2CYP4A11ATRCMKLR1KDM1A
SCHEMBL4082983 0.87 SLC6A2 (0.38) CYP4F2CYP4A11DNMT3AATRCMKLR1
SCHEMBL4091084 0.85 TBK1 (0.41) HRH1
SCHEMBL4089935 0.85 CMKLR1 (0.40) HRH1DNMT3AATRCMKLR1SLC6A2
SCHEMBL4083874 0.84 SCN7A (0.42) HRH1
SCHEMBL5378043 0.84 RXRA (0.38) ALOX5APATRCMKLR1KDM1AMEN1
SCHEMBL4085342 0.83 TBK1 (0.40) HRH1
SCHEMBL4083905 0.83 HRH3 (0.44) HRH1ATRCMKLR1SLC6A2SLC6A4
SCHEMBL4083901 0.83 CMKLR1 (0.36) HRH1CYP4F2CYP4A11DNMT3AATR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 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 (2 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 HRH1 3031/4885HTR6 2404/4885CYP4F2 3576/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 HRH1 3325/4885HTR6 2521/4885CYP4F2 3647/4885

“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.