SCHEMBL157353

SCHEMBL157353

COc1cc(Br)ccc1-c1cnc(C)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
STK17B O94768 2/20 0.40
MAP3K7 O43318 2/20 0.40
PIM1 P11309 2/20 0.40
MAP3K9 P80192 2/20 0.40
MAP3K11 Q16584 2/20 0.40
AURKB Q96GD4 2/20 0.40
MAP4K2 Q12851 1/20 0.40
PIM3 Q86V86 1/20 0.40
MAPK15 Q8TD08 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
STK17A Q9UEE5 1/20 0.40

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
SCHEMBL3411035 0.82 IMPDH2 (0.58) CA12CA2CA9PSEN1PSEN2
SCHEMBL155308 0.78 LRRK2 (0.41) CA12CA2CA9PSEN1PSEN2
SCHEMBL29877761 0.78 LRRK2 (0.41) CA12CA2CA9PSEN1PSEN2
SCHEMBL153885 0.77 CA12 (0.50) CA12CA2CA9IMPDH2LMNA
SCHEMBL6123291 0.76 MAPT (0.47) CA12CA2CA9PSEN1PSEN2
SCHEMBL16063166 0.76 KMT2A (0.51) CA12CA2CA9LMNAPOLB
SCHEMBL430455 0.74 ALDH1A1 (0.47) CA2CA9PSEN1PSEN2APH1B
SCHEMBL154457 0.73 IMPDH2 (0.45) CA12CA2CA9IMPDH2POLB
Hydrochloric Acid SCHEMBL6122860 0.72 IMPDH2 (0.44) CA12CA2CA9IMPDH2POLB
SCHEMBL155437 0.72 PSEN1 (0.38) CA12CA2CA9PSEN1PSEN2

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-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 US disclosed
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
EP-2455380-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-23 EP disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP CA12 3052/4885CA2 1776/4885CA9 2674/4885
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP CA12 1607/4885CA2 552/4885CA9 1194/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP CA12 1607/4885CA2 552/4885CA9 1194/4885
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, APP, BACE2 CA12 989/4885CA2 182/4885CA9 422/4885

“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.