SCHEMBL4080192

SCHEMBL4080192

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CMKLR1 Q99788 2/20 0.36
ESR1 P03372 5/20 0.35
ESR2 Q92731 3/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
ESRRB O95718 2/20 0.35
ESRRA P11474 2/20 0.35
ATR Q13535 2/20 0.35
SCN7A Q01118 2/20 0.34
KCNH2 Q12809 1/20 0.34
ABL1 P00519 2/20 0.33
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL5373251 0.91 CMKLR1 (0.38) RXRARXRBRXRGCMKLR1ESR1
SCHEMBL5378043 0.90 RXRA (0.38) RXRARXRBRXRGCMKLR1ATR
SCHEMBL4084335 0.89 RXRA (0.42) RXRARXRBRXRGCMKLR1ATR
SCHEMBL4080434 0.89 RXRA (0.37) RXRARXRBRXRGCMKLR1CYP4F2
SCHEMBL4083268 0.89 RXRA (0.37) RXRARXRBRXRGCMKLR1ATR
SCHEMBL5375430 0.89 CMKLR1 (0.37) RXRARXRBRXRGCMKLR1CYP4F2
SCHEMBL5377751 0.89 CMKLR1 (0.37) RXRARXRBRXRGCMKLR1CYP4F2
SCHEMBL4084768 0.87 JAK2 (0.40) RXRARXRBRXRGCMKLR1ATR
SCHEMBL4094652 0.87 RAB9A (0.37) RXRARXRBRXRGCMKLR1ATR
SCHEMBL4079783 0.85 CMKLR1 (0.36) RXRARXRBRXRGCMKLR1ATR

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 RXRA 2265/4885RXRB 2226/4885RXRG 2156/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 RXRA 2170/4885RXRB 2113/4885RXRG 2042/4885

“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.