SCHEMBL2815267

SCHEMBL2815267

CCc1c(Cl)nc(N2CCOCC2)nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NUDT1 P36639 1/20 0.46
▸ HTT P42858 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ TACR2 P21452 1/20 0.41
▸ HPGD P15428 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
SCHEMBL2376910 0.84 MAPK1 (0.46) MAPK1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL11868217 0.83 ALDH1A1 (0.49) MAPK1SMN1; SMN2NUDT1HTTKDM4E
SCHEMBL15334688 0.81 KMT2A (0.44) MAPK1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL13089834 0.81 HTT (0.40) MAPK1SMN1; SMN2NUDT1HTTKDM4E
SCHEMBL25625146 0.80 MAPK1 (0.43) MAPK1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL2814964 0.79 KMT2A (0.51) MAPK1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL17163194 0.79 GBA1 (0.43) MAPK1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL25221709 0.79 HTT (0.49) MAPK1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL11873039 0.78 SMN1; SMN2 (0.64) MAPK1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL31547920 0.77 KDM4E (0.47) MAPK1SMN1; SMN2HTTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 — — US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 — — US disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 — — EP disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 — — EP disclosed
CN-101389622-B Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG 2013-04-17 — — CN disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 — — US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 — — US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 — — US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 — — US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 — — US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 — — US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 — — US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 — — US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 — — EP disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 — — EP disclosed
CN-101389622-A Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2009-03-18 — — CN disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 — — EP disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 — — WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 — — WO disclosed
US-3984411-A HYPOCHOLESTEROLEMICS, HYPOGLYCEMICS OR ANTIDIABETICS SOCIETE GENERALE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES "SOGERAS" (FR) 1976-10-05 — — 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-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB MAPK1 294/4885SMN1; SMN2 3106/4885NUDT1 578/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB MAPK1 310/4885SMN1; SMN2 2964/4885NUDT1 528/4885

“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.

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