SCHEMBL5377905

SCHEMBL5377905

CSc1ccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.34
ATR Q13535 6/20 0.32
DGAT2 Q96PD7 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
RET P07949 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
SCHEMBL5373368 0.89 DRD1 (0.34) DRD1ATRDGAT2RXRARXRB
SCHEMBL5374181 0.85 DRD1 (0.33) DRD1ATRDGAT2RXRARXRB
SCHEMBL4605947 0.85 CMKLR1 (0.34) DRD1ATRDGAT2RXRARXRB
SCHEMBL5802425 0.85 RXRA (0.35) DRD1ATRDGAT2RXRARXRB
SCHEMBL5651015 0.85 DRD1 (0.33) DRD1ATRDGAT2RXRARXRB
SCHEMBL5377590 0.85 ALDH1A1 (0.34) DRD1
SCHEMBL8446279 0.85 DRD1 (0.36) DRD1ATRDGAT2RXRARXRB
SCHEMBL5374224 0.85 DGAT2 (0.44) DRD1ATRDGAT2RXRARXRB
SCHEMBL1313297 0.84 DRD1 (0.35) DRD1ATRRXRARXRBRXRG
SCHEMBL5377693 0.84 DGAT2 (0.37) DRD1ATRDGAT2RXRARXRB

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 16 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
EP-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 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
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-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

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 DRD1 4094/4885ATR 3197/4885DGAT2 1402/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 DRD1 4315/4885ATR 1021/4885DGAT2 2141/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT DRD1 3831/4885ATR 4124/4885DGAT2 2779/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 DRD1 4531/4885ATR 952/4885DGAT2 2149/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 DRD1 4315/4885ATR 1021/4885DGAT2 2141/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R DRD1 4440/4885ATR 1377/4885DGAT2 1359/4885

“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.