SCHEMBL3228952

SCHEMBL3228952

Cc1nc(C(N)=O)sc1-c1ccnc(-c2ccccc2F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.47
DBF4 Q9UBU7 2/20 0.47
CDK2 P24941 6/20 0.44
CDK4 P11802 4/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GRM2 Q14416 1/20 0.40
CCNE1 P24864 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
ADORA2A P29274 4/20 0.38
ADORA3 P0DMS8 2/20 0.38
JAK2 O60674 1/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ADORA1 P30542 3/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL1937841 0.83 TGFBR1 (0.48) CDC7DBF4CDK2CDK4NPC1
SCHEMBL3661249 0.79 KDM4E (0.49) CDC7DBF4CDK2CDK4RAB9A
SCHEMBL3232125 0.77 PIK3CA (0.43) CDC7DBF4CDK2CDK4CCNE1
SCHEMBL13358975 0.76 PIK3CA (0.45) CDC7DBF4CDK2CDK4CCNE1
SCHEMBL3669248 0.75 PIK3CA (0.46) CDC7CDK2CDK4RAB9ACCNE1
SCHEMBL3663885 0.75 CDK4 (0.43) CDC7DBF4CDK2CDK4RAB9A
SCHEMBL3237122 0.75 PIK3CA (0.52) CDK2CDK4RAB9ACCNE1PIK3CD
SCHEMBL3232487 0.75 PIK3CA (0.51) CDK2CDK4RAB9ACCNE1PIK3CD
SCHEMBL3162020 0.75 PIK3CA (0.53) CDK2CDK4RAB9ACCNE1PIK3CD
SCHEMBL3240860 0.74 PIK3CA (0.45) CDC7DBF4CDK2CDK4CCNE1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8710085-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2014-04-29 US disclosed
US-20140005232-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 EP disclosed
US-8476268-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 US disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 US disclosed
WO-2010029082-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 WO disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 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 (5 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-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD CDC7 365/4885DBF4 4346/4885CDK2 220/4885
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD CDC7 365/4885DBF4 4346/4885CDK2 220/4885
US-20140005232-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PDPK1, MTOR, PIK3C2A CDC7 454/4885DBF4 4149/4885CDK2 173/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD CDC7 1341/4885DBF4 4217/4885CDK2 241/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD CDC7 971/4885DBF4 4062/4885CDK2 124/4885

“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.