SCHEMBL1885306

SCHEMBL1885306

Cc1nc(Nc2cnccn2)sc1-c1ccnc(N2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.48
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
CDK2 P24941 9/20 0.46
CDK9 P50750 4/20 0.46
CCNA2 P20248 4/20 0.46
CCNT1 O60563 2/20 0.46
SMG1 Q96Q15 5/20 0.46
CDK1 P06493 3/20 0.46
CDK4 P11802 5/20 0.45
AURKA O14965 3/20 0.45
AURKB Q96GD4 3/20 0.45
CHEK1 O14757 2/20 0.44
MTOR P42345 1/20 0.44
CCND1 P24385 2/20 0.43
CCND3 P30281 2/20 0.43
CDK6 Q00534 2/20 0.43
AOC3 Q16853 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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
SCHEMBL1889414 0.85 CDK2 (0.52) RAF1BRAFCDK2CDK9CCNA2
SCHEMBL1889933 0.83 CDK2 (0.43) CDK2CDK9CCNA2CCNT1SMG1
SCHEMBL1895171 0.80 ADORA3 (0.52) KARS1ADORA2AADORA1
SCHEMBL1888686 0.79 PIK3CG (0.60) RAF1BRAFADORA2AADORA1
SCHEMBL1891863 0.78 KDR (0.41) KARS1ADORA2AADORA1
SCHEMBL1888443 0.77 NPC1 (0.48) ADORA2AADORA1
SCHEMBL8236670 0.77 PIK3CA (0.54) RAF1BRAFCDK2CDK9CCNT1
Bromide SCHEMBL1885323 0.76 PIK3CA (0.53) RAF1BRAFCDK2CDK9CCNT1
SCHEMBL5048755 0.73 NPC1 (0.51) RAF1BRAF
SCHEMBL2395328 0.73 KDR (0.49) KARS1CDK2CDK4ADORA2AADORA1

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 9 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
EP-1622897-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096797-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2004-11-11 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 (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 KARS1 1524/4885RAF1 55/4885BRAF 122/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C KARS1 1553/4885RAF1 55/4885BRAF 117/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C KARS1 1553/4885RAF1 55/4885BRAF 117/4885

“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.