SCHEMBL4284014

SCHEMBL4284014

O=S1(=O)CCN(CC2(F)C=CC(n3ccc4cnc(Nc5ccnc(N6CCNC7(CC7)C6)c5)nc43)C=C2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.37
AURKA O14965 1/20 0.37
WEE1 P30291 1/20 0.33
PLK1 P53350 1/20 0.33
ROCK2 O75116 2/20 0.32
STAT6 P42226 1/20 0.31

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
SCHEMBL4284016 0.80 CDK4 (0.36) CDK4AURKAWEE1PLK1
SCHEMBL1655639 0.78 RPS6KA3 (0.40) WEE1PLK1STAT6
SCHEMBL1655648 0.71 RPS6KA3 (0.41) CDK4AURKAWEE1PLK1ROCK2
SCHEMBL1654997 0.68 AURKA (0.49) CDK4AURKAWEE1PLK1ROCK2
SCHEMBL1655091 0.67 RPS6KA3 (0.49) CDK4WEE1PLK1STAT6
SCHEMBL1655646 0.65 WEE1 (0.43) WEE1PLK1
SCHEMBL1655280 0.59 RPS6KA3 (0.49) WEE1PLK1STAT6
SCHEMBL4292091 0.58 RPS6KA3 (0.49) CDK4WEE1PLK1STAT6
SCHEMBL4288572 0.57 JAK2 (0.48) CDK4AURKASTAT6
SCHEMBL1655111 0.57 AURKA (0.50) CDK4AURKAWEE1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 CDK4 186/4885AURKA 755/4885WEE1 348/4885

“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.