SCHEMBL4288410

SCHEMBL4288410

COCc1ccc(Nc2ncc3ccn(-c4cc(F)c(CN5CCS(=O)(=O)CC5)c(F)c4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.47
BRD4 O60885 9/20 0.47
AURKA O14965 4/20 0.44
CDK4 P11802 4/20 0.44
RPS6KA3 P51812 2/20 0.44
JAK1 P23458 1/20 0.43
BRD2 P25440 1/20 0.43
JAK3 P52333 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
PTK2 Q05397 2/20 0.43
FGFR4 P22455 1/20 0.42
STAT6 P42226 1/20 0.42
EIF2AK4 Q9P2K8 1/20 0.41

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
SCHEMBL4288417 0.92 JAK2 (0.47) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL1654991 0.91 JAK2 (0.46) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL4287602 0.89 FGFR1 (0.46) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL1657599 0.89 RPS6KA3 (0.51) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL4284006 0.87 JAK2 (0.46) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL13746414 0.87 JAK2 (0.48) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL4290775 0.87 RPS6KA3 (0.45) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL4283803 0.86 AURKA (0.44) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL1657501 0.86 RPS6KA3 (0.45) JAK2BRD4AURKACDK4RPS6KA3
SCHEMBL4288944 0.86 RPS6KA3 (0.45) JAK2BRD4AURKACDK4RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US claimed
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
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 JAK2 2/4885BRD4 964/4885AURKA 755/4885

“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.