SCHEMBL245708

SCHEMBL245708

Nc1cc(N2CCOCC2)ncc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.47
MAP3K12 Q12852 1/20 0.47
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 3/20 0.44
MAPT P10636 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ADK P55263 1/20 0.43
CNR2 P34972 2/20 0.42
SMPD3 Q9NY59 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MTOR P42345 2/20 0.42
PIK3R1 P27986 1/20 0.42
KMO O15229 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL29300851 0.87 ALDH1A1 (0.44) PIK3CAMAP3K12ALDH1A1CYP1A2MAPT
SCHEMBL15543262 0.84 ALDH1A1 (0.48) PIK3CAMAP3K12ALDH1A1CYP1A2MAPT
SCHEMBL29745217 0.84 ALDH1A1 (0.48) PIK3CAMAP3K12ALDH1A1CYP1A2MAPT
SCHEMBL14910307 0.80 KDM4E (0.47) PIK3CAMAP3K12ALDH1A1CYP1A2MAPT
SCHEMBL21246773 0.80 CNR2 (0.52) PIK3CAMAP3K12ALDH1A1CYP1A2MAPT
SCHEMBL28949334 0.80 CNR2 (0.52) PIK3CAALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL246534 0.80 ALDH1A1 (0.44) PIK3CAMAP3K12ALDH1A1CYP1A2MAPT
SCHEMBL23248303 0.77 KDM4E (0.47) PIK3CAALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL1912048 0.77 ALDH1A1 (0.58) PIK3CAMAP3K12ALDH1A1CYP1A2MAPT
SCHEMBL29124616 0.77 CNR2 (0.52) PIK3CAALDH1A1CYP1A2MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 US disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 US disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 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 (2 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-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 PIK3CA 2177/4885MAP3K12 3414/4885ALDH1A1 133/4885
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885MAP3K12 660/4885ALDH1A1 3735/4885

“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.