Sugi Predict

Sugi Predict / Compounds / SCHEMBL2725946

SCHEMBL2725946

SCHEMBL2725946

Fc1ccc(-c2cccc3c(N4CCOCC4)nc(Cl)nc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.49
▸ CNR2 P34972 6/20 0.46
▸ ATR Q13535 1/20 0.43
▸ ATRIP Q8WXE1 1/20 0.43
▸ PIK3CD O00329 2/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ ADK P55263 1/20 0.41
▸ GRIA1 P42261 2/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ PRKDC P78527 1/20 0.39

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
SCHEMBL2725738 0.80 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CGCSNK2A1
SCHEMBL1858593 0.76 KDM4E (0.53) PIK3CACNR2ATRATRIPPIK3CD
SCHEMBL9404476 0.76 KDM4E (0.50) PIK3CACNR2AURKARPS6KB1
SCHEMBL2726270 0.74 MTOR (0.57) PIK3CAMTORPIK3CG
SCHEMBL1192572 0.74 ADK (0.41) PIK3CACNR2ATRATRIPPIK3CD
SCHEMBL1863780 0.74 MTOR (0.47) PIK3CACNR2PIK3CDMTORPIK3CG
SCHEMBL2726482 0.74 HRH4 (0.50) PIK3CAAURKARPS6KB1
SCHEMBL466335 0.72 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL24537180 0.71 SMN1; SMN2 (0.46) PIK3CAMTORADK
SCHEMBL29680060 0.71 SMN1; SMN2 (0.46) PIK3CAMTORADK

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 20 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-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 — — US disclosed
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-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 — — 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-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-03-13 — — 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-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-07-25 — — 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-8440662-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ENDO PHARMACEUTICALS, INC. (US) 2013-05-14 — — 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
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 — — 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
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 PIK3CA 2/4885CNR2 963/4885ATR 669/4885
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 PIK3CA 2/4885CNR2 963/4885ATR 669/4885
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 PIK3CA 2/4885CNR2 963/4885ATR 669/4885
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 PIK3CA 2/4885CNR2 963/4885ATR 669/4885

“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.