SCHEMBL4476298

SCHEMBL4476298

CCc1ccc(N2CCC(C(=O)N(C)C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.54
PDK2 Q15119 1/20 0.47
CHRM4 P08173 1/20 0.46
NOTUM Q6P988 1/20 0.45
EED O75530 1/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL17876415 0.86 CHRM4 (0.45) RORCCHRM4MAPTALDH1A1GAA
SCHEMBL12074079 0.83 CYP46A1 (0.50) RORCPDK2NOTUMEEDMAPT
SCHEMBL21659120 0.83 MAPT (0.50) MAPTALDH1A1GAAHTTTDP1
SCHEMBL6204089 0.83 ALDH1A1 (0.61) NOTUMMAPTALDH1A1GAAHTT
SCHEMBL3280264 0.82 GFER (0.51) RORCPDK2CHRM4NOTUMEED
SCHEMBL14241715 0.82 CYP46A1 (0.50) RORCPDK2CHRM4NOTUMEED
SCHEMBL4889125 0.81 NOTUM (0.58) RORCPDK2CHRM4NOTUMEED
Hydrochloric Acid SCHEMBL3576843 0.81 GFER (0.50) RORCPDK2NOTUMEEDMAPT
SCHEMBL22854275 0.79 RORC (0.53) RORCPDK2NOTUMMAPTALDH1A1
SCHEMBL14924001 0.79 RORC (0.51) RORCPDK2NOTUMEEDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 RORC 1571/4885PDK2 697/4885CHRM4 4877/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 RORC 1571/4885PDK2 697/4885CHRM4 4877/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK RORC 1393/4885PDK2 210/4885CHRM4 4739/4885

“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.