SCHEMBL2059664

SCHEMBL2059664

COC(=O)c1cnn2cc(-c3ccc(OC)cc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP4 P12644 2/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
KCNH2 Q12809 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
KDR P35968 5/20 0.45
FLT1 P17948 2/20 0.45

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
SCHEMBL3616031 0.89 LCK (0.45) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3321508 0.86 SLC6A4 (0.47) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL30998745 0.83 USP30 (0.54) PIK3CGMKNK2NR4A2
SCHEMBL31030716 0.80 ALDH1A1 (0.51) BMP4KDM4EALDH1A1KMT2AMEN1
SCHEMBL3079598 0.79 EPHB3 (0.54) BMP4KDM4EALDH1A1KMT2AMEN1
SCHEMBL1325106 0.79 CA12 (0.44) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2059670 0.78 BMP4 (0.49) BMP4KDM4EKMT2AMEN1KDR
SCHEMBL30977391 0.77 EPHB3 (0.56) KDM4EALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL31383589 0.77 GAA (0.44) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2059684 0.77 KMT2A (0.42) CYP1A2CYP2C9CYP2C19KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045484-B2 Inhibitors of the BMP signaling pathway THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-06-02 US disclosed
EP-2265603-B1 INHIBITORS OF THE BMP SIGNALING PATHWAY GEN HOSPITAL CORP (US) 2014-05-07 EP disclosed
US-20140011805-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2014-01-09 US disclosed
US-8507501-B2 Inhibitors of the BMP signaling pathway THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-08-13 US disclosed
US-20110053930-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-03-03 US disclosed
EP-2265603-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY The General Hospital Corporation (US) 2010-12-29 EP disclosed
WO-2009114180-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2009-09-17 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-20110053930-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY BMP1, BMP2K, BMP2 BMP4 4/4885KDM4E 1806/4885CYP1A2 4228/4885
US-20140011805-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY BMP1, BMP2K, BMP2 BMP4 4/4885KDM4E 1806/4885CYP1A2 4228/4885

“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.