SCHEMBL4103133

SCHEMBL4103133

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.49
ALK Q9UM73 4/20 0.46
CDK7 P50613 2/20 0.45
CDK9 P50750 2/20 0.45
ZAP70 P43403 7/20 0.44
ULK1 O75385 1/20 0.43
MAPK8 P45983 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK9 P45984 2/20 0.40
MAPK10 P53779 1/20 0.40
CDK19 Q9BWU1 1/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DCLK1 O15075 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL4095652 0.88 IGF1R (0.50) IGF1RALKCDK7CDK9ZAP70
SCHEMBL375527 0.88 IGF1R (0.50) IGF1RALKCDK7CDK9ZAP70
SCHEMBL29190691 0.87 ALK (0.59) IGF1RALKCDK7CDK9ZAP70
SCHEMBL375360 0.85 ZAP70 (0.61) IGF1RALKCDK7CDK9ZAP70
SCHEMBL25056256 0.84 ZAP70 (0.48) IGF1RALKCDK7CDK9ZAP70
SCHEMBL31251181 0.84 IGF1R (0.46) IGF1RALKCDK7CDK9ZAP70
SCHEMBL29214361 0.84 CDK7 (0.60) IGF1RALKCDK7CDK9AURKA
SCHEMBL31251230 0.83 CDK7 (0.53) IGF1RALKCDK7CDK9ZAP70
SCHEMBL4094489 0.82 ZAP70 (0.48) IGF1RALKCDK7CDK9ZAP70
SCHEMBL375399 0.80 ZAP70 (0.46) IGF1RALKCDK7CDK9ZAP70

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 2060/4885CDK7 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.