SCHEMBL1889414

SCHEMBL1889414

Cc1nc(Nc2cccnc2)sc1-c1ccnc(N2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.52
SMG1 Q96Q15 8/20 0.52
CDK1 P06493 6/20 0.52
CDK9 P50750 8/20 0.47
CCNT1 O60563 6/20 0.47
CCNA2 P20248 6/20 0.47
MTOR P42345 3/20 0.47
AURKA O14965 2/20 0.46
CDK4 P11802 2/20 0.46
AURKB Q96GD4 2/20 0.46
CCNB1 P14635 2/20 0.45
CDK7 P50613 2/20 0.45
CCNH P51946 2/20 0.45
CCNA1 P78396 1/20 0.45
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL1885306 0.85 KARS1 (0.48) CDK2SMG1CDK1CDK9CCNT1
SCHEMBL1889933 0.79 CDK2 (0.43) CDK2SMG1CDK1CDK9CCNT1
SCHEMBL1887632 0.78 MAPT (0.51) KDM4EMAPTHPGDCASP1CASP7
SCHEMBL1888686 0.78 PIK3CG (0.60) RAF1BRAFPIK3CG
SCHEMBL8236670 0.76 PIK3CA (0.54) CDK2SMG1CDK1CDK9CCNT1
Bromide SCHEMBL1885323 0.75 PIK3CA (0.53) CDK2SMG1CDK1CDK9CCNT1
SCHEMBL5048755 0.74 NPC1 (0.51) RAF1BRAFPIK3CG
SCHEMBL16762555 0.73 LRRK2 (0.43) CDK2SMG1CDK1MTORRAF1
SCHEMBL1888452 0.71 SMG1 (0.73) CDK2SMG1CDK1MTORKDM4E
SCHEMBL4152059 0.70 CDK2 (0.82) CDK2CDK1CDK9CCNT1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157091-B1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2015-06-10 EP disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 US disclosed
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 US disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP disclosed
EP-1622897-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2009-10-14 EP disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 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 (3 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-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B CDK2 131/4885SMG1 264/4885CDK1 123/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CDK2 133/4885SMG1 269/4885CDK1 126/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CDK2 133/4885SMG1 269/4885CDK1 126/4885

“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.