SCHEMBL4292070

SCHEMBL4292070

CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3ncc4ccn(-c5ccc(S(C)(=O)=O)cc5)c4n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.50
▸ BRD4 O60885 7/20 0.50
▸ GPR119 Q8TDV5 5/20 0.49
▸ JAK3 P52333 3/20 0.48
▸ PTK2 Q05397 3/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ AURKA O14965 1/20 0.48
▸ CDK4 P11802 1/20 0.48
▸ CCNK O75909 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ FGFR4 P22455 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
SCHEMBL3403256 0.89 AURKA (0.52) JAK2BRD4JAK3PTK2HDAC6
SCHEMBL1655002 0.89 JAK2 (0.54) JAK2BRD4JAK3PTK2HDAC6
SCHEMBL1654987 0.88 JAK2 (0.57) JAK2BRD4GPR119JAK3PTK2
SCHEMBL27916040 0.88 JAK2 (0.50) JAK2BRD4JAK3PTK2HDAC6
SCHEMBL1655049 0.85 AURKA (0.64) JAK2BRD4JAK3PTK2HDAC6
SCHEMBL4293250 0.84 AURKA (0.56) JAK2BRD4JAK3PTK2HDAC6
SCHEMBL27916041 0.83 JAK2 (0.50) JAK2BRD4JAK3PTK2HDAC6
SCHEMBL3399195 0.83 AURKA (0.55) JAK2BRD4JAK3PTK2HDAC6
SCHEMBL1655013 0.83 JAK2 (0.61) JAK2BRD4JAK3PTK2HDAC6
SCHEMBL1655187 0.83 AURKA (0.54) JAK2BRD4JAK3PTK2HDAC6

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 JAK2 2/4885BRD4 964/4885GPR119 1569/4885

“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.

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