SCHEMBL4290429

SCHEMBL4290429

OC(O)(c1c(F)cc(-n2ccc3cnc(Nc4ccccn4)nc32)cc1F)N1CCSCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 15/20 0.44
RPS6KA3 P51812 2/20 0.41
CDK4 P11802 2/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
CCNA1 P78396 1/20 0.38
JAK2 O60674 2/20 0.36
AURKA O14965 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL4284002 0.89 RPS6KA3 (0.47) RPS6KA3CDK4CCND1CDK2CCND2
SCHEMBL1657537 0.86 AURKA (0.46) PTK2RPS6KA3CDK4CDK2JAK2
SCHEMBL4290779 0.86 RPS6KA3 (0.46) PTK2RPS6KA3CDK4JAK2AURKA
SCHEMBL4292753 0.84 RPS6KA3 (0.54) RPS6KA3CDK4CCND1JAK2AURKA
SCHEMBL1657502 0.82 RPS6KA3 (0.45) RPS6KA3JAK2BRD4
SCHEMBL4288938 0.82 RPS6KA3 (0.45) RPS6KA3JAK2BRD4
SCHEMBL4293675 0.81 JAK2 (0.43) PTK2RPS6KA3CDK4JAK2AURKA
SCHEMBL4286086 0.81 RPS6KA3 (0.44) RPS6KA3JAK2BRD4
SCHEMBL4283799 0.79 SYK (0.43) PTK2RPS6KA3CDK4JAK2AURKA
SCHEMBL4288414 0.79 JAK2 (0.45) PTK2RPS6KA3CDK4JAK2AURKA

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 PTK2 175/4885RPS6KA3 303/4885CDK4 186/4885

“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.