SCHEMBL2270828

SCHEMBL2270828

Cc1cc(C2=CCOCC2)c2nc(NC3CCN(c4cc(C)ncn4)CC3)nn2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 6/20 0.35
BRD4 O60885 5/20 0.35
ATAD2 Q6PL18 1/20 0.35
PSEN1 P49768 11/20 0.33
PSEN2 P49810 11/20 0.33
APH1B Q8WW43 11/20 0.33
NCSTN Q92542 11/20 0.33
APH1A Q96BI3 11/20 0.33
PSENEN Q9NZ42 11/20 0.33
BRPF1 P55201 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
KCNH2 Q12809 3/20 0.33
NOTCH1 P46531 2/20 0.33
ATR Q13535 1/20 0.32
PI4KB Q9UBF8 1/20 0.31
KIT P10721 1/20 0.31

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
SCHEMBL2273588 0.86 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2273026 0.85 JAK2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2275585 0.83 JAK1 (0.37)
SCHEMBL2273594 0.81 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2272618 0.80 JAK1 (0.47)
SCHEMBL2275999 0.79 KIT (0.39) KIT
SCHEMBL2272020 0.79 JAK1 (0.41) KIT
SCHEMBL6906763 0.79 JAK1 (0.37)
SCHEMBL2275610 0.78 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17907539 0.78 SMPD3 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP 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 TAF1 4239/4885BRD4 3295/4885ATAD2 1277/4885

“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.