SCHEMBL4199525

SCHEMBL4199525

COc1ccc(-c2n[nH]c3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
IDO1 P14902 3/20 0.65
ALDH1A1 P00352 3/20 0.65
TTK P33981 2/20 0.65
ALPL P05186 1/20 0.65
GAA P10253 1/20 0.65
HPGD P15428 1/20 0.65
MAPK10 P53779 1/20 0.65
ITK Q08881 2/20 0.59
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
MAP2K4 P45985 1/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CDK2 P24941 3/20 0.52
FLT3 P36888 1/20 0.52
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
CDK4 P11802 3/20 0.51

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
SCHEMBL31760855 1.00 KDM4E (0.65) KDM4EIDO1ALDH1A1TTKALPL
SCHEMBL12318102 0.86 ITK (0.67) KDM4EIDO1ALDH1A1TTKALPL
SCHEMBL11687075 0.83 KMT2A (0.54) KDM4EALDH1A1TTKITKKMT2A
SCHEMBL15622271 0.82 AURKA (0.60) KDM4EIDO1ALDH1A1TTKALPL
SCHEMBL5767848 0.81 CYP19A1 (0.54) KDM4EALDH1A1GAAITKKMT2A
SCHEMBL4480025 0.80 ALDH1A1 (0.71) KDM4EIDO1ALDH1A1TTKALPL
SCHEMBL710318 0.80 ATM (0.67) KDM4EALDH1A1GAACDK2NPC1
SCHEMBL1513055 0.80 CDK4 (0.60) KDM4EIDO1ALDH1A1TTKALPL
SCHEMBL30719652 0.80 ATM (0.67) KDM4EALDH1A1GAACDK2NPC1
SCHEMBL17178615 0.80 ALDH1A1 (0.92) KDM4EIDO1ALDH1A1TTKALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738610-B2 Indazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-08-22 US disclosed
US-9738610-B2 Indazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-08-22 US disclosed
US-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-10 US disclosed
US-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-10 US disclosed
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-09-01 US disclosed
US-7951832-B2 Pyrazole derivatives as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-31 US disclosed
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 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-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 WO disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO 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 (8 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 KDM4E 4025/4885IDO1 1250/4885ALDH1A1 2112/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 KDM4E 3665/4885IDO1 1010/4885ALDH1A1 2864/4885
US-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF CYP11B1, HSP90B1, CYP1B1 KDM4E 4525/4885IDO1 131/4885ALDH1A1 1340/4885
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 KDM4E 784/4885IDO1 2432/4885ALDH1A1 1648/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 KDM4E 408/4885IDO1 56/4885ALDH1A1 1965/4885
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B KDM4E 2622/4885IDO1 3063/4885ALDH1A1 2731/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 KDM4E 3665/4885IDO1 1010/4885ALDH1A1 2864/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 KDM4E 784/4885IDO1 2432/4885ALDH1A1 1648/4885

“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.