SCHEMBL4605947

SCHEMBL4605947

Oc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 1/20 0.34
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
DRD1 P21728 1/20 0.33
ATR Q13535 3/20 0.32
DGAT2 Q96PD7 1/20 0.32
ESR1 P03372 3/20 0.31
CPT1A P50416 1/20 0.31
MCL1 Q07820 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL5802425 0.92 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5374181 0.90 DRD1 (0.33) RXRARXRBRXRGDRD1ATR
SCHEMBL5651015 0.90 DRD1 (0.33) RXRARXRBRXRGDRD1ATR
SCHEMBL5373140 0.88 CPT2 (0.35) RXRARXRBRXRGDRD1ATR
SCHEMBL5373368 0.88 DRD1 (0.34) RXRARXRBRXRGDRD1ATR
SCHEMBL5398150 0.86 DGAT2 (0.32) RXRARXRBRXRGDRD1ATR
SCHEMBL5373361 0.86 DGAT2 (0.36) RXRARXRBRXRGDRD1ATR
SCHEMBL5374237 0.86 CNR1 (0.32) RXRARXRBRXRGDRD1DGAT2
SCHEMBL5377590 0.86 ALDH1A1 (0.34) DRD1
SCHEMBL14554188 0.86 MAP4K4 (0.36) RXRARXRBRXRGDGAT2CPT1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871364-A1 METHODS FOR TREATING OR PREVENTING ACUTE MYELOGENOUS LEUKEMIA Signal Pharmaceuticals LLC (US) 2008-01-02 EP disclosed
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-20070004777-A1 Methods for treating or preventing acute myelogenous leukemia SIGNAL PHARMACEUTICALS, LLC 2007-01-04 US disclosed
US-20060258706-A1 Solid forms of a JNK inhibitor CELGENE CORPORATION 2006-11-16 US disclosed
WO-2006102363-A1 METHODS FOR TREATING OR PREVENTING ACUTE MYELOGENOUS LEUKEMIA SIGNAL PHARMACEUTICALS, LLC (US) 2006-09-28 WO disclosed
EP-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP 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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO 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
EP-1358154-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES Abbott Laboratories (US) 2003-11-05 EP disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 US disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO disclosed
WO-2001028996-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 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 (7 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 CMKLR1 664/4885CYP4F2 4056/4885CYP4A11 1771/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 CMKLR1 2764/4885CYP4F2 2542/4885CYP4A11 913/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT CMKLR1 2502/4885CYP4F2 2444/4885CYP4A11 277/4885
US-20070004777-A1 Methods for treating or preventing acute myelogenous leukemia MCL1, NPM1, FLT3 CMKLR1 1080/4885CYP4F2 969/4885CYP4A11 297/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 CMKLR1 2764/4885CYP4F2 2542/4885CYP4A11 913/4885
US-20060258706-A1 Solid forms of a JNK inhibitor MAPK1, MAP3K1, MAP3K20 CMKLR1 1368/4885CYP4F2 4104/4885CYP4A11 1881/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R CMKLR1 1126/4885CYP4F2 3286/4885CYP4A11 819/4885

“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.