SCHEMBL1655855

SCHEMBL1655855

CN1CCN(C(=O)c2c(F)cc(-n3ccc4cnc(Nc5ccc(CN6CCOCC6)cc5)nc43)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.53
BRD4 O60885 8/20 0.53
JAK3 P52333 4/20 0.51
RPS6KA3 P51812 2/20 0.51
STAT6 P42226 3/20 0.49
JAK1 P23458 1/20 0.48
BRD2 P25440 1/20 0.48
BRD3 Q15059 1/20 0.48
BRDT Q58F21 1/20 0.48
FGFR1 P11362 1/20 0.47
AURKA O14965 2/20 0.47
CDK4 P11802 1/20 0.47
EGFR P00533 1/20 0.47
AURKB Q96GD4 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
SCHEMBL4291720 0.97 JAK2 (0.51) JAK2BRD4JAK3RPS6KA3STAT6
SCHEMBL4291476 0.95 RPS6KA3 (0.53) JAK2BRD4JAK3RPS6KA3STAT6
SCHEMBL1655662 0.92 JAK3 (0.49) JAK2BRD4JAK3RPS6KA3STAT6
SCHEMBL1654493 0.92 JAK2 (0.53) JAK2BRD4JAK3RPS6KA3STAT6
SCHEMBL4283950 0.91 JAK2 (0.53) JAK2BRD4JAK3RPS6KA3STAT6
SCHEMBL4283941 0.91 JAK2 (0.53) JAK2BRD4JAK3RPS6KA3STAT6
SCHEMBL1657628 0.89 RPS6KA3 (0.49) JAK2BRD4JAK3RPS6KA3STAT6
SCHEMBL4288520 0.89 STAT6 (0.53) JAK2BRD4JAK3RPS6KA3STAT6
SCHEMBL4296915 0.89 TBK1 (0.52) JAK2BRD4JAK3RPS6KA3STAT6
SCHEMBL1654952 0.89 JAK2 (0.57) JAK2BRD4JAK3RPS6KA3STAT6

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 8 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

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 964/4885JAK3 16/4885

“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.