SCHEMBL13849367

SCHEMBL13849367

CNc1ncc(Br)c(Nc2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 7/20 0.58
▸ ALK Q9UM73 1/20 0.55
▸ ULK1 O75385 2/20 0.52
▸ AXL P30530 5/20 0.49
▸ NEK2 P51955 1/20 0.49
▸ CDK7 P50613 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ IGF1R P08069 1/20 0.48
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ MAPK8 P45983 2/20 0.45
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ KDR P35968 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
SCHEMBL12311717 0.85 ZAP70 (0.70) ZAP70ALKULK1AXLNEK2
SCHEMBL25056256 0.84 ZAP70 (0.48) ZAP70ALKULK1AXLNEK2
SCHEMBL13849392 0.81 ZAP70 (0.57) ZAP70ALKULK1AXLCDK7
SCHEMBL12780617 0.80 ZAP70 (0.68) ZAP70ALKULK1AXLIGF1R
SCHEMBL12781900 0.80 ZAP70 (0.61) ZAP70ALKULK1AXLIGF1R
SCHEMBL4088361 0.73 ULK1 (0.72) ZAP70ALKULK1AXLNEK2
SCHEMBL12312367 0.73 ULK1 (0.81) ZAP70ALKULK1NEK2CDK7
SCHEMBL12311812 0.73 MAPK8 (0.61) ALKULK1CDK7CDK9IGF1R
SCHEMBL19225455 0.73 AXL (0.45) ZAP70ALKAXLNEK2CDK7
SCHEMBL2061451 0.72 AXL (0.59) ALKAXLNEK2CDK7CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 — — 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 (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 1678/4885ALK 2060/4885ULK1 1714/4885

“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.

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