SCHEMBL2272020

SCHEMBL2272020

Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2nc(NC3CCN(c4cc(C)ncn4)CC3)nn2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.41
KIT P10721 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
EED O75530 2/20 0.39
RBBP4 Q09028 2/20 0.39
SUZ12 Q15022 2/20 0.39
EZH2 Q15910 2/20 0.39
JAK2 O60674 3/20 0.38
TNK2 Q07912 1/20 0.37
SCN9A Q15858 1/20 0.37
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
PDK4 Q16654 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL2272618 0.91 JAK1 (0.47) JAK1JAK2
SCHEMBL2275999 0.90 KIT (0.39) JAK1KITJAK2
SCHEMBL2275585 0.89 JAK1 (0.37) JAK1JAK2
SCHEMBL6906763 0.87 JAK1 (0.37) JAK1JAK2
SCHEMBL2273588 0.80 PSEN1 (0.36)
SCHEMBL17907539 0.80 SMPD3 (0.34)
SCHEMBL2273026 0.79 JAK2 (0.35) JAK1JAK2
SCHEMBL2270828 0.79 TAF1 (0.35) KIT
SCHEMBL2273743 0.77 BRD4 (0.38) JAK2CNR1CNR2
SCHEMBL2254487 0.76 PDK4 (0.47) JAK1EEDRBBP4SUZ12EZH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP claimed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP claimed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US claimed
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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 (1 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 JAK1 4402/4885KIT 2634/4885GPR119 1577/4885

“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.