SCHEMBL4288929

SCHEMBL4288929

CC(C)Oc1ccc(Nc2ncc3ccn(-c4ccc(CC(=O)N5CCOCC5)cc4)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.53
BRD4 O60885 6/20 0.53
PTK2 Q05397 4/20 0.50
RPS6KA3 P51812 1/20 0.48
EGFR P00533 3/20 0.46
STAT6 P42226 2/20 0.46
LRRK2 Q5S007 2/20 0.45
AURKA O14965 1/20 0.44
CDK4 P11802 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
SCHEMBL1655331 0.91 BRD4 (0.62) JAK2BRD4RPS6KA3AURKACDK4
SCHEMBL1654935 0.88 BRD4 (0.57) JAK2BRD4PTK2RPS6KA3EGFR
SCHEMBL4292063 0.88 JAK2 (0.54) JAK2BRD4PTK2RPS6KA3LRRK2
SCHEMBL1654539 0.86 JAK2 (0.58) JAK2BRD4PTK2RPS6KA3EGFR
SCHEMBL1655755 0.86 STAT6 (0.53) JAK2BRD4PTK2RPS6KA3STAT6
SCHEMBL4287848 0.85 JAK2 (0.56) JAK2BRD4PTK2RPS6KA3EGFR
SCHEMBL1655273 0.85 JAK2 (0.49) JAK2BRD4PTK2RPS6KA3LRRK2
SCHEMBL1655283 0.84 RPS6KA3 (0.50) JAK2BRD4PTK2RPS6KA3STAT6
SCHEMBL4287793 0.84 BRD4 (0.55) JAK2BRD4PTK2RPS6KA3EGFR
SCHEMBL1654981 0.84 RPS6KA3 (0.47) JAK2BRD4PTK2RPS6KA3LRRK2

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-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US claimed
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

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 964/4885PTK2 175/4885

“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.