SCHEMBL4284037

SCHEMBL4284037

Fc1cc(-n2ccc3cnc(Nc4cccc(CN5CCOCC5)c4)nc32)cc(F)c1CN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 5/20 0.54
TBK1 Q9UHD2 3/20 0.54
RPS6KA3 P51812 1/20 0.54
CDK1 P06493 1/20 0.51
KDR P35968 1/20 0.51
JAK3 P52333 2/20 0.50
JAK2 O60674 3/20 0.49
BRD4 O60885 2/20 0.49
PLK4 O00444 1/20 0.47
NTRK1 P04629 2/20 0.46
NUAK1 O60285 1/20 0.46
STK16 O75716 1/20 0.46
CSF1R P07333 1/20 0.46
CSNK2A2 P19784 1/20 0.46
TYK2 P29597 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
ULK3 Q6PHR2 1/20 0.46
BMP2K Q9NSY1 1/20 0.46
PTK2 Q05397 1/20 0.46
EGFR P00533 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
SCHEMBL1654958 0.95 TBK1 (0.52) STAT6TBK1RPS6KA3CDK1KDR
SCHEMBL1654501 0.91 RPS6KA3 (0.57) STAT6TBK1RPS6KA3CDK1KDR
SCHEMBL4283758 0.90 STAT6 (0.58) STAT6RPS6KA3KDRJAK3JAK2
SCHEMBL1655004 0.89 RPS6KA3 (0.54) STAT6TBK1RPS6KA3JAK2BRD4
SCHEMBL28790308 0.88 STAT6 (0.53) STAT6TBK1RPS6KA3CDK1KDR
SCHEMBL4291584 0.87 NTRK1 (0.52) STAT6TBK1RPS6KA3CDK1JAK3
SCHEMBL1657606 0.87 JAK2 (0.58) RPS6KA3JAK3JAK2BRD4TYK2
SCHEMBL1654507 0.86 RPS6KA3 (0.56) STAT6RPS6KA3JAK3JAK2BRD4
SCHEMBL4284124 0.86 JAK2 (0.49) STAT6TBK1RPS6KA3JAK3JAK2
SCHEMBL1655295 0.86 RPS6KA3 (0.54) STAT6RPS6KA3JAK3JAK2BRD4

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 STAT6 601/4885TBK1 634/4885RPS6KA3 303/4885

“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.