SCHEMBL3949900

SCHEMBL3949900

COc1ccc2cc(C(O)c3cc(C#N)ccc3F)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.42
AKR1C3 P42330 6/20 0.41
AKR1C2 P52895 6/20 0.41
PTGS2 P35354 3/20 0.41
PTGS1 P23219 3/20 0.41
TSHR P16473 2/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
CYP1A2 P05177 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
ALOX5 P09917 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGDS O60760 1/20 0.39
NQO1 P15559 1/20 0.39
AKR1C1 Q04828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SNCA P37840 1/20 0.38

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
SCHEMBL4090032 0.88 AKR1C3 (0.45) AKR1C3AKR1C2LMNACYP2C9L3MBTL1
SCHEMBL4085392 0.84 CYP3A4 (0.42)
SCHEMBL6311310 0.78 ABCB11 (0.50) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL4085361 0.77 TOP2A (0.40) LMNACYP19A1SMN1; SMN2
SCHEMBL31499214 0.74 NQO1 (0.62) CYP1A2HPGDSNQO1L3MBTL1SNCA
SCHEMBL906936 0.74 NQO1 (0.62) CYP1A2HPGDSNQO1L3MBTL1SNCA
SCHEMBL2861781 0.73 CES2 (0.38)
SCHEMBL28512510 0.72 ABCB11 (0.53) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL12782048 0.72 LMNA (0.42) LMNAMAPT
SCHEMBL6100448 0.71 NQO1 (0.59) CYP1A2HPGDSNQO1L3MBTL1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791831-A4 METHODS OF TREATING DISEASES AND DISORDERS BY TARGETING MULTIPLE KINASES SIGNAL PHARM LLC (US) 2009-07-08 EP disclosed
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-1791831-A2 METHODS OF TREATING DISEASES AND DISORDERS BY TARGETING MULTIPLE KINASES Signal Pharmaceuticals LLC (US) 2007-06-06 EP 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-2005051308-A2 METHODS OF TREATING DISEASES AND DISORDERS BY TARGETING MULTIPLE KINASES SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO disclosed
US-20050107386-A1 Methods of treating diseases and disorders by targeting multiple kinases NARLA RAMA KRISHNA (US) 2005-05-19 US 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 (3 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-20050107386-A1 Methods of treating diseases and disorders by targeting multiple kinases MAP3K20, MAP3K2, MAP3K1 ABCB11 4045/4885AKR1C3 2836/4885AKR1C2 2516/4885
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 ABCB11 3282/4885AKR1C3 935/4885AKR1C2 1223/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 ABCB11 3191/4885AKR1C3 952/4885AKR1C2 1266/4885

“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.