SCHEMBL4080004

SCHEMBL4080004

N#Cc1ccc2c(c1)c(-c1ccc3cc(OCCc4cccnc4)ccc3c1)nn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.38
CYP11B1 P15538 2/20 0.38
CYP19A1 P11511 1/20 0.38
JAK1 P23458 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CYP17A1 P05093 1/20 0.35
TBXA2R P21731 2/20 0.35
TBXAS1 P24557 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KCNA5 P22460 4/20 0.35
ATR Q13535 3/20 0.34
CMKLR1 Q99788 1/20 0.34
KDM1A O60341 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
VCP P55072 1/20 0.33
MKNK1 Q9BUB5 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
SCHEMBL4088620 0.93 CYP4F2 (0.42) CYP11B2CYP11B1CYP4F2CYP4A11CYP17A1
SCHEMBL4084249 0.87 HRH1 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL4082983 0.85 SLC6A2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL4089935 0.83 CMKLR1 (0.40) RXRARXRBRXRGATRCMKLR1
SCHEMBL4091084 0.83 TBK1 (0.41)
SCHEMBL4080342 0.83 TBXAS1 (0.46) CYP19A1TBXAS1
SCHEMBL4083874 0.83 SCN7A (0.42)
SCHEMBL4047351 0.83 CYP4F2 (0.40) CYP11B2CYP11B1CYP4F2CYP4A11CMKLR1
SCHEMBL4085342 0.82 TBK1 (0.40)
SCHEMBL4083905 0.82 HRH3 (0.44) ATRCMKLR1

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 CYP11B2 239/4885CYP11B1 202/4885CYP19A1 2082/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CYP11B2 248/4885CYP11B1 220/4885CYP19A1 2204/4885

“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.