SCHEMBL1655770

SCHEMBL1655770

Fc1cc(-n2ccc3cnc(Nc4ccc(CC5CCNCC5)cc4)nc32)cc(F)c1CN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.49
BRD4 O60885 10/20 0.49
RPS6KA3 P51812 1/20 0.49
STAT6 P42226 6/20 0.49
AURKA O14965 2/20 0.46
AURKB Q96GD4 1/20 0.46
JAK3 P52333 3/20 0.45
JAK1 P23458 2/20 0.45
BRD2 P25440 2/20 0.45
BRD3 Q15059 2/20 0.45
BRDT Q58F21 2/20 0.45
CDK4 P11802 1/20 0.43

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
SCHEMBL3402625 0.91 STAT6 (0.53) JAK2BRD4RPS6KA3STAT6AURKA
SCHEMBL4283758 0.89 STAT6 (0.58) JAK2BRD4RPS6KA3STAT6AURKA
SCHEMBL4287852 0.88 RPS6KA3 (0.48) JAK2BRD4RPS6KA3STAT6AURKA
SCHEMBL1655180 0.86 JAK2 (0.52) JAK2BRD4RPS6KA3STAT6AURKB
SCHEMBL3396458 0.86 LRRK2 (0.49) JAK2BRD4RPS6KA3STAT6JAK3
SCHEMBL1655255 0.86 STAT6 (0.51) JAK2BRD4RPS6KA3STAT6AURKA
SCHEMBL1657475 0.85 RPS6KA3 (0.55) JAK2BRD4RPS6KA3STAT6AURKA
SCHEMBL3399893 0.85 RPS6KA3 (0.50) JAK2BRD4RPS6KA3STAT6JAK3
SCHEMBL1655824 0.85 RPS6KA3 (0.52) JAK2BRD4RPS6KA3STAT6AURKA
SCHEMBL1654501 0.85 RPS6KA3 (0.57) JAK2BRD4RPS6KA3STAT6AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011511034-A 2011-04-07 JP claimed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP claimed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US claimed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO 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 964/4885RPS6KA3 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.