SCHEMBL5375552

SCHEMBL5375552

Nc1ccc(C=Cc2ccc3c(c2)c(-c2ccc(F)cc2)nn3C2CCCCO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ATR Q13535 3/20 0.33
RET P07949 1/20 0.33
GRIN2B Q13224 1/20 0.32
METAP2 P50579 1/20 0.31
RAD51 Q06609 1/20 0.31
KDM1A O60341 1/20 0.30
MERTK Q12866 1/20 0.30
IP6K1 Q92551 1/20 0.30
IP6K3 Q96PC2 1/20 0.30
GRIA1 P42261 1/20 0.30
CACNG2 Q9Y698 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL5375548 1.00 HDAC3 (0.36) HDAC3HDAC1HDAC2CYP4F2CYP4A11
SCHEMBL5374585 0.91 RXRA (0.36) HDAC3HDAC1HDAC2CYP4F2CYP4A11
SCHEMBL5374578 0.91 RXRA (0.36) HDAC3HDAC1HDAC2CYP4F2CYP4A11
SCHEMBL5377394 0.90 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5377389 0.90 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5374599 0.86 RXRA (0.39) HDAC3HDAC1HDAC2CYP4F2CYP4A11
SCHEMBL5374603 0.86 RXRA (0.39) HDAC3HDAC1HDAC2CYP4F2CYP4A11
SCHEMBL5379216 0.85 AXL (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5372228 0.81 CYP4F2 (0.38) HDAC3HDAC1HDAC2CYP4F2CYP4A11
SCHEMBL5648857 0.81 MGLL (0.41) RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed
US-7208513-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-04-24 US disclosed
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US disclosed
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SINGNAL PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 US disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 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 (6 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 HDAC3 212/4885HDAC1 129/4885HDAC2 120/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 HDAC3 337/4885HDAC1 229/4885HDAC2 244/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT HDAC3 30/4885HDAC1 70/4885HDAC2 47/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 HDAC3 293/4885HDAC1 177/4885HDAC2 232/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 HDAC3 337/4885HDAC1 229/4885HDAC2 244/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R HDAC3 138/4885HDAC1 247/4885HDAC2 642/4885

“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.