SCHEMBL5379526

SCHEMBL5379526

CC(=O)O[C@@H](C(=O)Nc1cccc(-c2nn(C3CCCCO3)c3ccc(C#N)cc23)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CREBBP Q92793 2/20 0.40
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
HTR1E P28566 1/20 0.36
S1PR3 Q99500 1/20 0.36
POLB P06746 1/20 0.35
CCR5 P51681 1/20 0.35
MCHR1 Q99705 1/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.34
CMKLR1 Q99788 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
GAA P10253 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL5377071 0.91 CREBBP (0.43) TSHRCREBBPALDH1A1POLBMCHR1
SCHEMBL5377703 0.86 MEN1 (0.43) TSHRCREBBPALDH1A1MAPTLMNA
SCHEMBL5377521 0.82 RORC (0.42) TSHRCREBBPALDH1A1MAPTKDM4E
SCHEMBL5381394 0.82 IKBKB (0.41) TSHRCREBBPALDH1A1ACHEBACE1
SCHEMBL5375461 0.82 MAPT (0.37) TSHRALDH1A1MAPTLMNAHTR1E
SCHEMBL7175994 0.82 MAPT (0.37) TSHRALDH1A1MAPTLMNAHTR1E
SCHEMBL5377769 0.81 EGLN2 (0.41) TSHRCREBBPALDH1A1POLBACHE
SCHEMBL5373415 0.81 KMT2A (0.40) TSHRCREBBPALDH1A1MCHR1HPGD
SCHEMBL5379530 0.80 TSHR (0.35) TSHRCREBBPALDH1A1MAPTLMNA
SCHEMBL5378085 0.79 MAPT (0.43) TSHRCREBBPALDH1A1MAPTPOLB

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 TSHR 3693/4885CREBBP 144/4885ALDH1A1 2112/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TSHR 3522/4885CREBBP 273/4885ALDH1A1 2864/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT TSHR 4230/4885CREBBP 1177/4885ALDH1A1 474/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TSHR 3432/4885CREBBP 216/4885ALDH1A1 2838/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TSHR 3522/4885CREBBP 273/4885ALDH1A1 2864/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R TSHR 2779/4885CREBBP 432/4885ALDH1A1 1851/4885

“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.