SCHEMBL4090032

SCHEMBL4090032

CCOc1ccc2cc(C(O)c3cc(C#N)ccc3F)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
GLA P06280 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.35

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 0.88 ABCB11 (0.42) AKR1C3AKR1C2CYP2C9L3MBTL1GAA
SCHEMBL4085392 0.82 CYP3A4 (0.42) SLC6A2SLC6A4SLC6A3KCNH2MEN1
SCHEMBL7565814 0.77 SLC6A2 (0.56) AKR1C3AKR1C2GLASLC6A2SLC6A4
SCHEMBL18068 0.76 L3MBTL1 (0.44) MEN1KMT2AACACBL3MBTL1GAA
SCHEMBL4085361 0.75 TOP2A (0.40) SMN1; SMN2LMNA
SCHEMBL4094642 0.73 CHRNA7 (0.49) GLAMEN1KMT2AGAASMN1; SMN2
SCHEMBL2861781 0.71 CES2 (0.38) KCNH2CYP11B1CYP11B2
SCHEMBL12662975 0.71 AKR1C3 (0.64) AKR1C3AKR1C2CYP17A1CYP2C9CYP2C19
SCHEMBL12762200 0.70 TNF (0.37) CYP2C9KCNH2CYP11B1CYP11B2
SCHEMBL18911182 0.70 AKR1C3 (0.67) AKR1C3AKR1C2CYP17A1CYP2C9CYP2C19

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 AKR1C3 935/4885AKR1C2 1223/4885GLA 3459/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 AKR1C3 952/4885AKR1C2 1266/4885GLA 3508/4885

“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.