SCHEMBL4085392

SCHEMBL4085392

N#Cc1ccc(F)c(C(O)c2ccc3ccccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.42
CYP2D6 P10635 9/20 0.42
SLC6A2 P23975 9/20 0.42
SLC6A4 P31645 9/20 0.42
SLC6A3 Q01959 9/20 0.42
KCNH2 Q12809 5/20 0.42
UGT2B7 P16662 1/20 0.41
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
AOC3 Q16853 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL3949900 0.84 ABCB11 (0.42)
SCHEMBL4090032 0.82 AKR1C3 (0.45) CYP3A4SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4085361 0.81 TOP2A (0.40) TOP2ATOP2B
SCHEMBL2861781 0.80 CES2 (0.38) KCNH2TOP2ATOP2B
SCHEMBL4085359 0.79 EEF2K (0.40) TOP2ATOP2BCA1CA2
SCHEMBL4090114 0.77 S1PR3 (0.41) KCNH2NPC1ATM
SCHEMBL23882902 0.74 TOP2A (0.48) TOP2ATOP2BCA2NPC1RAB9A
SCHEMBL30251256 0.74 TOP2A (0.48) TOP2ATOP2BCA2NPC1RAB9A
SCHEMBL12762200 0.73 TNF (0.37) KCNH2
Water SCHEMBL1898776 0.71 CA1 (0.59) CYP3A4SLC6A2SLC6A4SLC6A3KCNH2

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 CYP3A4 2529/4885CYP2D6 3751/4885SLC6A2 4227/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CYP3A4 2646/4885CYP2D6 3706/4885SLC6A2 4266/4885

“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.