SCHEMBL462147

SCHEMBL462147

CC1(C)OB(c2cncc(NS(=O)(=O)c3ccc(F)cc3F)c2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.55
BRD4 O60885 2/20 0.52
ALPL P05186 1/20 0.48
PRF1 P14222 10/20 0.45
PIK3CA P42336 4/20 0.45

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
SCHEMBL15650233 0.89 ALPL (0.44) PIK3CBBRD4ALPLPRF1PIK3CA
SCHEMBL22447323 0.89 BRD4 (0.48) PIK3CBBRD4ALPL
SCHEMBL32670668 0.84 BRD4 (0.50) PIK3CBBRD4ALPLPRF1
SCHEMBL15648599 0.82 BRD4 (0.47) PIK3CBBRD4ALPL
SCHEMBL790655 0.80 PIK3C3 (0.53) PIK3CA
SCHEMBL31029634 0.79 BRD4 (0.47) PIK3CBBRD4ALPL
SCHEMBL29556116 0.79 PIK3CD (0.57) PIK3CBBRD4ALPLPRF1PIK3CA
SCHEMBL12276481 0.79 PIK3CD (0.57) PIK3CBBRD4ALPLPRF1PIK3CA
SCHEMBL790984 0.79 ALPL (0.48) PIK3CBALPLPIK3CA
SCHEMBL454986 0.79 LMNA (0.49) PRF1PIK3CA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105175411-B The synthetic method of a kind of carbamide compounds and its salt compounds and application 西安交通大学 2017-08-15 CN disclosed
US-9422298-B2 Pyridopyrimidine derivatives and use thereof CMG PHARMACEUTICAL CO., LTD. (KR) 2016-08-23 US disclosed
US-9422298-B2 Pyridopyrimidine derivatives and use thereof CMG PHARMACEUTICAL CO., LTD. (KR) 2016-08-23 US disclosed
US-9422298-B2 Pyridopyrimidine derivatives and use thereof CMG PHARMACEUTICAL CO., LTD. (KR) 2016-08-23 US disclosed
US-9388189-B2 Pyrrolotriazinone derivatives as PI3K inhibitors ALMIRALL, S.A. (ES) 2016-07-12 US disclosed
US-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2015-10-15 US disclosed
EP-2909207-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS Almirall S.A. (ES) 2015-08-26 EP disclosed
US-20150158874-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF CMG PHARMACEUTICAL CO., LTD. 2015-06-11 US disclosed
US-20150158874-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF CMG PHARMACEUTICAL CO., LTD. 2015-06-11 US disclosed
US-20150158874-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF CMG PHARMACEUTICAL CO., LTD. 2015-06-11 US disclosed
US-8664230-B2 Pyridopyrimidine derivatives and use thereof THE ASAN FOUNDATION (KR) 2014-03-04 US disclosed
US-8664230-B2 Pyridopyrimidine derivatives and use thereof THE ASAN FOUNDATION (KR) 2014-03-04 US disclosed
US-20120238587-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-09-20 US disclosed
US-20120238587-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-09-20 US disclosed
US-20120238587-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-09-20 US disclosed
WO-2011121317-A9 IMIDAZOTHIADIAZOLES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-03-15 WO disclosed
WO-2011121317-A1 IMIDAZO [2,1-B] [1,3,4] THIADIAZOLES AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-10-06 WO disclosed
US-20100179143-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
EP-2154965-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS Glaxosmithkline LLC (US) 2010-02-24 EP disclosed
WO-2008150827-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 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-20100179143-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS INPP5D, PI4KA, PTEN PIK3CB 16/4885BRD4 3004/4885ALPL 1522/4885
US-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS PIK3CB, PIK3CD, PIK3CA PIK3CB 1/4885BRD4 1873/4885ALPL 2893/4885
US-20120238587-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF PIK3CA, PIK3CD, PI4KA PIK3CB 6/4885BRD4 2209/4885ALPL 1664/4885
US-20150158874-A1 NOVEL PYRIDOPYRIMIDINE DERIVATIVES AND USE THEREOF PIK3CA, PIK3CD, PI4KA PIK3CB 6/4885BRD4 2209/4885ALPL 1664/4885

“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.