SCHEMBL760449

SCHEMBL760449

COC(=O)N(C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.59
MEN1 O00255 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
NR1H4 Q96RI1 1/20 0.48
NOTUM Q6P988 1/20 0.46
LMNA P02545 4/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL24448783 0.84 NPSR1 (0.58) NPSR1MEN1RAB9AKMT2ANR1H4
SCHEMBL5669591 0.80 MAPT (0.44) NPSR1MEN1RAB9AKMT2ANR1H4
SCHEMBL4402773 0.79 SMN1; SMN2 (0.62) NPSR1MEN1RAB9AKMT2ANR1H4
SCHEMBL15161225 0.79 ALDH1A1 (0.51) NPSR1MEN1RAB9AKMT2ANOTUM
SCHEMBL8861880 0.79 CA12 (0.47) NPSR1MEN1KMT2ANOTUMLMNA
SCHEMBL27719797 0.77 RAB9A (0.55) NPSR1MEN1RAB9AKMT2ALMNA
SCHEMBL6708122 0.77 NOTUM (0.41) NPSR1MEN1RAB9AKMT2ANOTUM
SCHEMBL737365 0.77 ALDH1A1 (0.46) NPSR1MEN1RAB9AKMT2ANOTUM
SCHEMBL11538588 0.77 RAB9A (0.50) NPSR1MEN1RAB9AKMT2ANR1H4
SCHEMBL2090069 0.77 MEN1 (0.47) NPSR1MEN1RAB9AKMT2ANOTUM

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 16 patents. 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-04-02 US disclosed
US-8937070-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-01-20 US disclosed
US-20140031361-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2014-01-30 US disclosed
US-8501944-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 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 (7 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 NPSR1 3053/4885MEN1 2865/4885RAB9A 2919/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 NPSR1 3053/4885MEN1 2865/4885RAB9A 2919/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 NPSR1 3053/4885MEN1 2865/4885RAB9A 2919/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK NPSR1 2212/4885MEN1 2476/4885RAB9A 2487/4885
US-20140031361-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 NPSR1 3053/4885MEN1 2865/4885RAB9A 2919/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK NPSR1 2212/4885MEN1 2476/4885RAB9A 2487/4885
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 NPSR1 3053/4885MEN1 2865/4885RAB9A 2919/4885

“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.