SCHEMBL4094489

SCHEMBL4094489

CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.48
ULK1 O75385 2/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
ALK Q9UM73 3/20 0.44
IGF1R P08069 1/20 0.44
BRD4 O60885 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL375081 0.88 ALK (0.52) ZAP70CDK7CDK9ALKIGF1R
SCHEMBL375360 0.87 ZAP70 (0.61) ZAP70ULK1CDK7CDK9ALK
SCHEMBL29214361 0.86 CDK7 (0.60) CDK7CDK9ALKIGF1R
SCHEMBL13849392 0.85 ZAP70 (0.57) ZAP70ULK1CDK7CDK9ALK
SCHEMBL29190691 0.84 ALK (0.59) ZAP70ULK1CDK7CDK9ALK
SCHEMBL375527 0.83 IGF1R (0.50) ZAP70ULK1CDK7CDK9ALK
SCHEMBL4095652 0.83 IGF1R (0.50) ZAP70ULK1CDK7CDK9ALK
SCHEMBL375399 0.82 ZAP70 (0.46) ZAP70ULK1CDK7CDK9ALK
SCHEMBL4103133 0.82 IGF1R (0.49) ZAP70ULK1CDK7CDK9ALK
SCHEMBL4107109 0.81 ZAP70 (0.50) ZAP70CDK7CDK9ALKIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 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 (1 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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS ZAP70 1678/4885ULK1 1714/4885CDK7 167/4885

“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.