SCHEMBL4095652

SCHEMBL4095652

O=S(=O)(Cl)c1ccccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.50
ALK Q9UM73 3/20 0.47
ZAP70 P43403 6/20 0.45
ULK1 O75385 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK8 P45983 2/20 0.41
CDK19 Q9BWU1 1/20 0.40
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
PIN1 Q13526 1/20 0.38

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
SCHEMBL375527 0.89 IGF1R (0.50) IGF1RALKZAP70ULK1CDK7
SCHEMBL4103133 0.88 IGF1R (0.49) IGF1RALKZAP70ULK1CDK7
SCHEMBL29190691 0.88 ALK (0.59) IGF1RALKZAP70ULK1CDK7
SCHEMBL375360 0.86 ZAP70 (0.61) IGF1RALKZAP70ULK1CDK7
SCHEMBL25056256 0.85 ZAP70 (0.48) IGF1RALKZAP70ULK1CDK7
SCHEMBL29214361 0.85 CDK7 (0.60) IGF1RALKCDK7CDK9
SCHEMBL31251181 0.85 IGF1R (0.46) IGF1RALKZAP70ULK1CDK7
SCHEMBL31251230 0.84 CDK7 (0.53) IGF1RALKZAP70ULK1CDK7
SCHEMBL4094489 0.83 ZAP70 (0.48) IGF1RALKZAP70ULK1CDK7
SCHEMBL375399 0.81 ZAP70 (0.46) IGF1RALKZAP70ULK1CDK7

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 IGF1R 4608/4885ALK 2060/4885ZAP70 1678/4885

“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.