SCHEMBL5382845

SCHEMBL5382845

CC(=O)n1nc(-c2ccc(F)cc2)c2cc(-c3ccc(C(N)=O)cc3[N+](=O)[O-])ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAP2K4 P45985 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ CTPS1 P17812 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ AR P10275 1/20 0.35
▸ TTR P02766 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ RORC P51449 2/20 0.34
▸ CREBBP Q92793 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL7089102 0.82 L3MBTL1 (0.42) ALDH1A1GAAL3MBTL1MAPTLMNA
SCHEMBL27889364 0.78 PARP1 (0.55) PARP1ALDH1A1GAAPKML3MBTL1
SCHEMBL5372622 0.77 MAP2K4 (0.51) PARP1ALDH1A1GAAPKML3MBTL1
SCHEMBL5381752 0.75 RORC (0.49) MAP2K4RORC
SCHEMBL5387249 0.74 RORC (0.40) ALDH1A1PKMMAP2K4MAPTRORC
SCHEMBL11545194 0.71 TTR (0.49) ALDH1A1L3MBTL1MAPTLMNATTR
SCHEMBL27873059 0.70 PARP1 (0.51) PARP1ALDH1A1GAAPKML3MBTL1
SCHEMBL5800171 0.69 NAMPT (0.36) ALDH1A1PKMMAPTLMNARORC
SCHEMBL5800178 0.69 KDM4E (0.42) ALDH1A1PKMMAPTRORCSMN1; SMN2
SCHEMBL5383114 0.68 ADORA2A (0.44) RORCPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 PARP1 2187/4885ALDH1A1 2112/4885GAA 2826/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT PARP1 3203/4885ALDH1A1 474/4885GAA 1533/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 PARP1 1789/4885ALDH1A1 2838/4885GAA 2843/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 PARP1 1627/4885ALDH1A1 2864/4885GAA 2644/4885

“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.

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