SCHEMBL2059670

SCHEMBL2059670

COC(=O)c1cnn2cc(-c3ccc(N4CCNCC4)cc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP4 P12644 1/20 0.49
ACVR1 Q04771 14/20 0.46
TGFBR1 P36897 7/20 0.46
BMPR1B O00238 6/20 0.45
ACVRL1 P37023 6/20 0.45
ACVR1B P36896 5/20 0.45
BMPR1A P36894 4/20 0.45
KDR P35968 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
TGFBR2 P37173 1/20 0.45
BMPR2 Q13873 1/20 0.45
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL19151029 0.79 ROCK2 (0.50) KDM4EMEN1KMT2A
SCHEMBL2059664 0.78 BMP4 (0.47) BMP4KDRKDM4EMEN1KMT2A
SCHEMBL3321508 0.78 SLC6A4 (0.47) KDM4EMEN1KMT2A
SCHEMBL30998745 0.77 USP30 (0.54)
SCHEMBL21946549 0.77 ROCK2 (0.45) KDM4EMEN1KMT2A
SCHEMBL31165565 0.72 ROCK2 (0.38) KDM4EMEN1KMT2A
SCHEMBL1325106 0.71 CA12 (0.44) KDM4EMEN1KMT2A
SCHEMBL532602 0.71 ALDH1A1 (0.65) ACVR1KDRKMT2AHTR3EHTR3B
SCHEMBL30977391 0.70 EPHB3 (0.56) KDM4EKMT2A
SCHEMBL3616031 0.70 LCK (0.45) KDM4EMEN1KMT2A

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 4/4885ACVR1 9/4885TGFBR1 45/4885
US-20140011805-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY BMP1, BMP2K, BMP2 BMP4 4/4885ACVR1 9/4885TGFBR1 45/4885

“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.