SCHEMBL5377895

SCHEMBL5377895

O=C(Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.38
MCL1 Q07820 1/20 0.38
KDR P35968 3/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MET P08581 1/20 0.37
MERTK Q12866 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
FGFR1 P11362 1/20 0.36
DDR2 Q16832 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
GGPS1 O95749 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL5377561 0.89 FGFR1 (0.34) MCL1FGFR1DDR2TSHRDGAT2
SCHEMBL14554188 0.89 MAP4K4 (0.36) MCL1FGFR1DDR2LMNADGAT2
SCHEMBL5386995 0.88 MAPT (0.38) MCL1KDREGFRERBB2FGFR1
SCHEMBL5398147 0.88 FGFR1 (0.35) MCL1FGFR1DDR2DGAT2
SCHEMBL5397809 0.88 PTPN1 (0.36) MCL1FGFR1DDR2LMNAGAA
SCHEMBL5383426 0.87 MAP4K4 (0.38) EGFRERBB2FGFR1DDR2TSHR
SCHEMBL5373247 0.87 ECE1 (0.38) MCL1FGFR1DDR2LMNAGAA
SCHEMBL5372575 0.86 MAP4K4 (0.38) MCL1EGFRFGFR1DDR2LMNA
SCHEMBL5373183 0.86 LTB4R (0.38) MCL1EGFRFGFR1DDR2LMNA
SCHEMBL5391965 0.86 FGFR1 (0.36) MCL1FGFR1DDR2DGAT2

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 12 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
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP 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 GRM4 2611/4885MCL1 385/4885KDR 3444/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 GRM4 3339/4885MCL1 212/4885KDR 2797/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT GRM4 4139/4885MCL1 2/4885KDR 4869/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 GRM4 3383/4885MCL1 189/4885KDR 2449/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 GRM4 3339/4885MCL1 212/4885KDR 2797/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R GRM4 3028/4885MCL1 1575/4885KDR 63/4885

“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.