SCHEMBL3226426

SCHEMBL3226426

CNC(=O)c1cc(I)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.45
HDAC1 Q13547 10/20 0.45
HDAC3 O15379 7/20 0.45
HDAC4 P56524 7/20 0.45
HDAC7 Q8WUI4 7/20 0.45
HDAC2 Q92769 7/20 0.45
HDAC10 Q969S8 7/20 0.45
HDAC11 Q96DB2 7/20 0.45
HDAC8 Q9BY41 7/20 0.45
HDAC6 Q9UBN7 7/20 0.45
HDAC9 Q9UKV0 7/20 0.45
HDAC5 Q9UQL6 7/20 0.45
RAF1 P04049 2/20 0.44
ARAF P10398 2/20 0.44
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL21090740 0.85 MAP2K2 (0.41) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL25635486 0.81 KMT2A (0.57) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL6888038 0.81 ALOX5 (0.51) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL13753892 0.81 NOS2 (0.43) BRAFHDAC1GAAALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL18151874 0.80 GAA (0.60) HDAC1GAAALDH1A1KDM4EMAPT
SCHEMBL22097516 0.80 MYC (0.40) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL6890987 0.79 BRAF (0.51) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL30871249 0.79 HDAC1 (0.52) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL1558074 0.79 MAPT (0.56) BRAFHDAC1HDAC3HDAC4HDAC7
Ammonia Solution, Strong SCHEMBL2316519 0.79 KDM4E (0.61) GAAALDH1A1KDM4EMAPTHPGD

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
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US disclosed
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US disclosed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
US-20060264440-A1 Pyrazoles and methods of making and using the same BIOGEN IDEC MA INC. (US) 2006-11-23 US disclosed
EP-1596656-A4 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-10-18 EP disclosed
CN-1770980-A Pyrazoles and methods of making and using the same BIOGEN IDEC INC (US) 2006-05-10 CN disclosed
EP-1596656-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-11-23 EP disclosed
WO-2004072033-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-08-26 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 (2 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-20060264440-A1 Pyrazoles and methods of making and using the same ALK, ACVR1, ALKBH5 BRAF 126/4885HDAC1 2096/4885HDAC3 1184/4885
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors TGFBR1, SMAD3, ALK BRAF 553/4885HDAC1 2992/4885HDAC3 2797/4885

“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.