SCHEMBL1937841

SCHEMBL1937841

Cc1nc(N)sc1-c1ccnc(-c2ccccc2F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.48
CDK2 P24941 10/20 0.47
CDK4 P11802 9/20 0.47
PLK1 P53350 1/20 0.47
CCNE1 P24864 4/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 3/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
AURKB Q96GD4 3/20 0.43
AURKA O14965 3/20 0.43

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
SCHEMBL3228952 0.83 CDC7 (0.47) CDK2CDK4CCNE1ALDH1A1NPC1
SCHEMBL3514395 0.80 NPC1 (0.54) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL27821752 0.76 CDK4 (0.39) TGFBR1CDK2CDK4ALDH1A1NPC1
SCHEMBL22684842 0.75 CDK4 (0.76) TGFBR1CDK2CDK4PLK1CCNE1
SCHEMBL3661251 0.75 CDK4 (0.57) TGFBR1CDK2CDK4PLK1CCNE1
SCHEMBL28296096 0.75 NPC1 (0.50) KDM4ENPC1RAB9AKMT2AHSD17B10
SCHEMBL5815955 0.73 TGFBR1 (0.56) TGFBR1CDK2KDM4ECDK5CCNA2
SCHEMBL1939106 0.72 CDK2 (0.51) TGFBR1CDK2CDK4PLK1CCNE1
SCHEMBL925981 0.72 MAPT (0.60) TGFBR1CDK2CDK4PLK1CCNE1
SCHEMBL5780217 0.72 CDK2 (0.61) CDK2CDK4PLK1CCNE1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
CN-102149711-B Organic compounds NOVARTIS AG 2014-09-10 CN 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
CN-102149711-A Organic compounds NOVARTIS AG 2011-08-10 CN disclosed
EP-2331537-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2011-06-15 EP 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 TGFBR1 2942/4885CDK2 220/4885CDK4 409/4885
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD TGFBR1 2942/4885CDK2 220/4885CDK4 409/4885
US-20140005232-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PDPK1, MTOR, PIK3C2A TGFBR1 3394/4885CDK2 173/4885CDK4 456/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD TGFBR1 1779/4885CDK2 241/4885CDK4 325/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD TGFBR1 2273/4885CDK2 124/4885CDK4 199/4885

“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.