SCHEMBL2275904

SCHEMBL2275904

CCOC(=O)NCc1cccc(-c2cc(C)cn3nc(NC4CCN(c5cc(C)ncn5)CC4)nc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.34
BRD4 O60885 1/20 0.34
ADORA2A P29274 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL17907538 0.94 GLS (0.33) HRH4ADORA2AJAK2JAK1MAPT
SCHEMBL2275498 0.92 HRH4 (0.36) HRH4MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL2273743 0.92 BRD4 (0.38) HRH4BRD4JAK2CNR1CNR2
Hydrochloric Acid SCHEMBL2271403 0.84 PSEN1 (0.35) ADORA2AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2273594 0.81 PSEN1 (0.37) ADORA2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2275610 0.78 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2272618 0.77 JAK1 (0.47) JAK2JAK1
SCHEMBL2270930 0.73 PSEN1 (0.44) JAK2PSEN1PSEN2APH1BNCSTN
SCHEMBL2275585 0.72 JAK1 (0.37) JAK2JAK1
SCHEMBL6906763 0.72 JAK1 (0.37) JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HRH4 134/4885BRD4 3295/4885ADORA2A 191/4885

“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.