SCHEMBL1655180

SCHEMBL1655180

Fc1cc(-n2ccc3cnc(Nc4cnn(C5CCNCC5)c4)nc32)cc(F)c1CN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.52
JAK1 P23458 2/20 0.52
TYK2 P29597 2/20 0.52
JAK3 P52333 2/20 0.52
ABL1 P00519 1/20 0.52
RPS6KA3 P51812 1/20 0.48
PIK3CD O00329 1/20 0.46
CSF1R P07333 1/20 0.46
CDK4 P11802 1/20 0.46
CDK6 Q00534 1/20 0.46
MYLK4 Q86YV6 2/20 0.46
STK17A Q9UEE5 2/20 0.46
BRD4 O60885 3/20 0.45
EIF2AK4 Q9P2K8 5/20 0.44
LRRK2 Q5S007 2/20 0.43
STAT6 P42226 2/20 0.41
NUAK1 O60285 2/20 0.41
AURKB Q96GD4 1/20 0.41
AURKC Q9UQB9 1/20 0.41

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
SCHEMBL1655770 0.86 JAK2 (0.49) JAK2JAK1JAK3RPS6KA3CDK4
SCHEMBL4290711 0.86 JAK3 (0.48) JAK2JAK1TYK2JAK3RPS6KA3
SCHEMBL1655241 0.85 RPS6KA3 (0.54) JAK2JAK1TYK2JAK3RPS6KA3
SCHEMBL4287852 0.85 RPS6KA3 (0.48) JAK2JAK1TYK2JAK3ABL1
SCHEMBL3402625 0.83 STAT6 (0.53) JAK2JAK1JAK3RPS6KA3BRD4
SCHEMBL3399893 0.82 RPS6KA3 (0.50) JAK2JAK1JAK3RPS6KA3BRD4
SCHEMBL1654501 0.82 RPS6KA3 (0.57) JAK2TYK2JAK3RPS6KA3CSF1R
SCHEMBL13756835 0.81 JAK1 (0.49) JAK2JAK1TYK2JAK3ABL1
SCHEMBL3396458 0.81 LRRK2 (0.49) JAK2JAK1JAK3RPS6KA3BRD4
SCHEMBL1654992 0.81 EIF2AK4 (0.50) JAK2JAK1TYK2JAK3RPS6KA3

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 7 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

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 2/4885JAK1 3/4885TYK2 87/4885

“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.