SCHEMBL4287680

SCHEMBL4287680

C[C@@H]1CN(Cc2c(F)cc(-n3ccc4cnc(Nc5ccc(N6CCN(C)CC6)nc5)nc43)cc2F)C[C@H](C)O1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.51
JAK2 O60674 13/20 0.48
BRD4 O60885 13/20 0.48
AURKA O14965 3/20 0.47
CDK4 P11802 3/20 0.47
JAK3 P52333 5/20 0.46
JAK1 P23458 3/20 0.46
BRD2 P25440 3/20 0.46
BRD3 Q15059 3/20 0.46
BRDT Q58F21 3/20 0.46
STAT6 P42226 1/20 0.46

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
SCHEMBL4287678 1.00 RPS6KA3 (0.51) RPS6KA3JAK2BRD4AURKACDK4
SCHEMBL4295028 0.92 JAK2 (0.47) RPS6KA3JAK2BRD4CDK4JAK3
SCHEMBL4295027 0.92 JAK2 (0.47) RPS6KA3JAK2BRD4CDK4JAK3
SCHEMBL4287854 0.86 RPS6KA3 (0.54) RPS6KA3JAK2BRD4AURKACDK4
SCHEMBL4287871 0.86 RPS6KA3 (0.52) RPS6KA3JAK2BRD4AURKACDK4
SCHEMBL1657471 0.85 RPS6KA3 (0.60) RPS6KA3JAK2BRD4AURKACDK4
SCHEMBL1655190 0.83 RPS6KA3 (0.56) RPS6KA3JAK2BRD4AURKACDK4
SCHEMBL13746148 0.82 RPS6KA3 (0.60) RPS6KA3JAK2BRD4AURKACDK4
SCHEMBL1655083 0.81 RPS6KA3 (0.49) RPS6KA3JAK2BRD4AURKACDK4
SCHEMBL1655086 0.81 RPS6KA3 (0.49) RPS6KA3JAK2BRD4AURKACDK4

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-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.