SCHEMBL2725839

SCHEMBL2725839

O=C(O)Cc1ccc2c(N3CCOCC3)nc(Cl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
PIK3R1 P27986 6/20 0.44
PIK3CA P42336 6/20 0.44
MTOR P42345 6/20 0.44
PRKDC P78527 5/20 0.43
KDM4E B2RXH2 2/20 0.41
NR1I2 O75469 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRM2 Q14416 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MAPT P10636 1/20 0.41
MAT2A P31153 1/20 0.41
NPSR1 Q6W5P4 1/20 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
SCHEMBL8408287 0.85 SMN1; SMN2 (0.55) SMN1; SMN2PIK3R1PIK3CAMTORPRKDC
SCHEMBL2725465 0.83 SMN1; SMN2 (0.55) SMN1; SMN2PIK3R1PIK3CAMTORPRKDC
SCHEMBL17565791 0.79 SMN1; SMN2 (0.61) SMN1; SMN2PIK3CAPRKDCKDM4EKMT2A
SCHEMBL4108186 0.78 SMN1; SMN2 (0.59) SMN1; SMN2PIK3CAPRKDCKDM4EKCNH2
SCHEMBL9429952 0.76 SMN1; SMN2 (0.59) SMN1; SMN2PIK3CAPRKDCKDM4EKMT2A
SCHEMBL2726036 0.76 SMN1; SMN2 (0.51) SMN1; SMN2PIK3R1PIK3CAMTORPRKDC
SCHEMBL2726311 0.76 SMN1; SMN2 (0.59) SMN1; SMN2PIK3CAPRKDCKDM4EKMT2A
SCHEMBL3718191 0.76 SMN1; SMN2 (0.62) SMN1; SMN2PIK3CAPRKDCKDM4EKMT2A
SCHEMBL2724748 0.76 SMN1; SMN2 (0.59) SMN1; SMN2PIK3CAMTORPRKDCKDM4E
SCHEMBL4095134 0.76 KDM4E (0.69) SMN1; SMN2KDM4EKMT2AALDH1A1GLA

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-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
WO-2012058671-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2012-05-03 WO 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 1256/4885PIK3R1 12/4885PIK3CA 2/4885
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885PIK3R1 12/4885PIK3CA 2/4885
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885PIK3R1 12/4885PIK3CA 2/4885
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885PIK3R1 12/4885PIK3CA 2/4885

“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.