SCHEMBL5383383

SCHEMBL5383383

COc1ccc2cc(-c3n[nH]c4ccc(-c5nc[nH]n5)cc34)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.46
ITK Q08881 7/20 0.46
LRRK2 Q5S007 4/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CDK4 P11802 2/20 0.44
CCNA2 P20248 2/20 0.44
CCND1 P24385 2/20 0.44
CDK2 P24941 2/20 0.44
KDR P35968 2/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
CCNB2 O95067 1/20 0.44
ABL1 P00519 1/20 0.44
CDK1 P06493 1/20 0.44
PDGFRB P09619 1/20 0.44
SRC P12931 1/20 0.44
CCNB1 P14635 1/20 0.44
WEE1 P30291 1/20 0.44

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
SCHEMBL8268311 0.90 PRKAG1 (0.49) TTKITKLRRK2HTR2AHTR2C
SCHEMBL4084888 0.88 TTK (0.57) TTKLRRK2
SCHEMBL4089440 0.86 TTK (0.46) TTKLRRK2ABL1SRCGSK3B
SCHEMBL4084208 0.83 TTK (0.46) TTKITKLRRK2NPC1RAB9A
SCHEMBL5372930 0.80 MKNK1 (0.49) TTKCDK2AURKAFLT3AURKB
SCHEMBL5378750 0.80 TTK (0.62) TTKLRRK2PRKAG1PRKAA1PRKAB1
SCHEMBL5377978 0.80 NTRK1 (0.45) RAB9ACDK4CCNA2CCND1CDK2
SCHEMBL5374429 0.79 MAP2K4 (0.55) TTKITKLRRK2CDK2FLT3
SCHEMBL4080252 0.79 CLK2 (0.58) PDGFRBPRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL5377168 0.78 MAP2K4 (0.41) TTKCDK4CCNA2CCND1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US claimed
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US 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-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-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-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-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-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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 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
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 (5 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 TTK 1198/4885ITK 1780/4885LRRK2 231/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TTK 476/4885ITK 813/4885LRRK2 348/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TTK 464/4885ITK 820/4885LRRK2 308/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TTK 476/4885ITK 813/4885LRRK2 348/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R TTK 714/4885ITK 54/4885LRRK2 280/4885

“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.