SCHEMBL8408337

SCHEMBL8408337

[C-]#[N+]c1ccc(-c2ccc3c(N4CCOCC4)nc(Cl)nc3c2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
PIK3CA P42336 1/20 0.39
PRKDC P78527 7/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAK O14976 1/20 0.37
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
HRH1 P35367 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL8408289 0.84 PI4KB (0.48) SMN1; SMN2PIK3CAPRKDCKDM4EALDH1A1
SCHEMBL2726476 0.84 SMN1; SMN2 (0.53) SMN1; SMN2PIK3CAPRKDCKDM4EALDH1A1
SCHEMBL2731944 0.82 SMN1; SMN2 (0.51) SMN1; SMN2PIK3CAPRKDCKDM4EALDH1A1
SCHEMBL8408288 0.81 SMN1; SMN2 (0.48) SMN1; SMN2PIK3CAPRKDCKDM4EALDH1A1
SCHEMBL8408334 0.81 SMN1; SMN2 (0.58) SMN1; SMN2PIK3CAPRKDCKDM4EALDH1A1
SCHEMBL2727144 0.81 SMN1; SMN2 (0.47) SMN1; SMN2PIK3CAPRKDCKDM4EALDH1A1
SCHEMBL2726335 0.81 SMN1; SMN2 (0.47) SMN1; SMN2PIK3CAPRKDCKDM4EALDH1A1
SCHEMBL2726605 0.80 SMN1; SMN2 (0.47) SMN1; SMN2PIK3CAPRKDCKDM4EALDH1A1
SCHEMBL2726603 0.80 SMN1; SMN2 (0.49) SMN1; SMN2PIK3CAPRKDCKDM4EALDH1A1
SCHEMBL2726036 0.79 SMN1; SMN2 (0.51) SMN1; SMN2PIK3CAPRKDCALDH1A1GAA

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
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 US disclosed
US-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-03-13 US disclosed
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-07-25 US disclosed
US-8440662-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ENDO PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 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 (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-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885PIK3CA 2/4885PRKDC 480/4885
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885PIK3CA 2/4885PRKDC 480/4885
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885PIK3CA 2/4885PRKDC 480/4885
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885PIK3CA 2/4885PRKDC 480/4885

“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.