SCHEMBL761032

SCHEMBL761032

CC(=O)OCC(O)CN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ABCB1 P08183 10/20 0.55
ATM Q13315 2/20 0.51
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL14468904 0.84 USP2 (0.60) ABCB1POLBALDH1A1TSHR
SCHEMBL1105465 0.84 USP2 (0.60) ABCB1POLBALDH1A1TSHR
SCHEMBL6569639 0.83 PKM (0.51) PKMMEN1KMT2AABCB1ATM
SCHEMBL28123602 0.82 PKM (0.56) PKMMEN1KMT2AABCB1ATM
SCHEMBL4632137 0.78 PKM (0.52) PKMMEN1KMT2AABCB1ATM
SCHEMBL13869703 0.78 PKM (0.49) PKMMEN1KMT2AABCB1ATM
SCHEMBL68147 0.77 KMT2A (0.64) MEN1KMT2AABCB1ATMCYP2D6
SCHEMBL5698940 0.76 MEN1 (0.52) PKMMEN1KMT2AABCB1ATM
SCHEMBL7526130 0.76 ABCB1 (0.49) PKMMEN1KMT2AABCB1ATM
SCHEMBL20027940 0.75 KMT2A (0.60) MEN1KMT2AABCB1ATMCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-04-02 US disclosed
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8937070-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-01-20 US disclosed
US-8846928-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140213583-A1 PI3K Inhibitor for Use in the Treatment of Bone Cancer or for Preventing Metastatic Dissemination Primary Cancer Cells into the Bone NOVARTIS AG (CH) 2014-07-31 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090074886-A1 GSK-3 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. 2009-03-19 US disclosed
US-7504405-B2 Mitotic kinesin inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-03-17 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-20080249112-A1 Mitotic Kinesin Inhibitors CHIRON CORPORATION (US) 2008-10-09 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 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 (11 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 PKM 783/4885MEN1 2865/4885KMT2A 1876/4885
US-20140213583-A1 PI3K Inhibitor for Use in the Treatment of Bone Cancer or for Preventing Metastatic Dissemination Primary Cancer Cells into the Bone PIK3CA, AKT3, AKT2 PKM 2175/4885MEN1 487/4885KMT2A 2222/4885
US-20090074886-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP PKM 562/4885MEN1 2112/4885KMT2A 2311/4885
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PKM 759/4885MEN1 2431/4885KMT2A 2616/4885
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KB, AKT3, PI4KA PKM 408/4885MEN1 1863/4885KMT2A 2719/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 PKM 783/4885MEN1 2865/4885KMT2A 1876/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK PKM 590/4885MEN1 2476/4885KMT2A 1713/4885
US-20080249112-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIFC1 PKM 385/4885MEN1 1408/4885KMT2A 473/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 PKM 741/4885MEN1 3367/4885KMT2A 1671/4885
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK PKM 665/4885MEN1 3407/4885KMT2A 1192/4885
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 PKM 783/4885MEN1 2865/4885KMT2A 1876/4885

“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.