SCHEMBL4283969

SCHEMBL4283969

COc1ccc(Nc2ncc3ccn(-c4ccc(C(=O)N5CCOCC5)c(F)c4)c3n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.53
JAK2 O60674 9/20 0.52
BRD4 O60885 8/20 0.52
JAK3 P52333 3/20 0.52
JAK1 P23458 2/20 0.52
BRD2 P25440 2/20 0.52
BRD3 Q15059 2/20 0.52
BRDT Q58F21 2/20 0.52
CDK4 P11802 2/20 0.47
AURKA O14965 1/20 0.47
CSF1R P07333 1/20 0.46
CDK6 Q00534 1/20 0.46
LRRK2 Q5S007 4/20 0.46
PTK2 Q05397 3/20 0.45
PIK3CA P42336 1/20 0.44
MTOR P42345 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
SCHEMBL4286366 0.92 RPS6KA3 (0.51) RPS6KA3JAK2BRD4JAK3JAK1
SCHEMBL13749251 0.91 RPS6KA3 (0.52) RPS6KA3JAK2BRD4JAK3JAK1
SCHEMBL13749253 0.90 RPS6KA3 (0.55) RPS6KA3JAK2BRD4JAK3JAK1
SCHEMBL1655057 0.89 RPS6KA3 (0.58) RPS6KA3JAK2BRD4JAK3JAK1
SCHEMBL1655225 0.89 JAK2 (0.55) RPS6KA3JAK2BRD4JAK3JAK1
SCHEMBL1655141 0.88 RPS6KA3 (0.56) RPS6KA3JAK2BRD4JAK3JAK1
SCHEMBL1655071 0.88 JAK2 (0.53) RPS6KA3JAK2BRD4JAK3JAK1
SCHEMBL1657582 0.87 LRRK2 (0.53) RPS6KA3JAK2BRD4JAK3JAK1
SCHEMBL4291814 0.87 JAK2 (0.52) RPS6KA3JAK2BRD4JAK3CDK4
SCHEMBL1654735 0.87 JAK2 (0.54) RPS6KA3JAK2BRD4JAK3JAK1

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-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
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 RPS6KA3 303/4885JAK2 2/4885BRD4 964/4885

“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.