SCHEMBL4404603

SCHEMBL4404603

CN(C)C(=O)C1CCN(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.50
NOTUM Q6P988 2/20 0.48
RORC P51449 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CYP46A1 Q9Y6A2 4/20 0.44
SYK P43405 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM4 P08173 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
EED O75530 1/20 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
SCHEMBL12074079 0.83 CYP46A1 (0.50) PDK2NOTUMRORCMAPTALDH1A1
SCHEMBL985184 0.83 NOTUM (0.60) PDK2NOTUMMAPTLMNATRPV1
SCHEMBL3280264 0.82 GFER (0.51) PDK2NOTUMRORCMAPTLMNA
SCHEMBL14241715 0.82 CYP46A1 (0.50) PDK2NOTUMRORCKDM4EALDH1A1
SCHEMBL4889125 0.81 NOTUM (0.58) PDK2NOTUMRORCCYP46A1USP2
Hydrochloric Acid SCHEMBL3576843 0.81 GFER (0.50) PDK2NOTUMRORCMAPTKDM4E
SCHEMBL4404327 0.80 NOTUM (0.49) PDK2NOTUMTRPV1ALDH1A1CYP46A1
SCHEMBL4476298 0.79 RORC (0.54) PDK2NOTUMRORCMAPTLMNA
SCHEMBL14924001 0.79 RORC (0.51) PDK2NOTUMRORCMAPTLMNA
SCHEMBL19904634 0.78 NOTUM (0.74) NOTUM

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-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-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 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 (4 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 PDK2 697/4885NOTUM 633/4885RORC 1571/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK PDK2 210/4885NOTUM 1057/4885RORC 1393/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 PDK2 697/4885NOTUM 633/4885RORC 1571/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK PDK2 210/4885NOTUM 1057/4885RORC 1393/4885

“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.