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SCHEMBL3398818

SCHEMBL3398818

CC(C)(C)OC(=O)N1CCOC[C@@H]1c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 5/20 0.43
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NR1H3 Q13133 4/20 0.39
▸ PIK3CA P42336 4/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ PIK3R1 P27986 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL2386027 1.00 NR1H2 (0.43) NR1H2USP2SMN1; SMN2NR1H3PIK3CA
SCHEMBL2386023 1.00 NR1H2 (0.43) NR1H2USP2SMN1; SMN2NR1H3PIK3CA
SCHEMBL21224528 0.88 USP2 (0.41) NR1H2USP2SMN1; SMN2NR1H3RECQL
SCHEMBL21682785 0.88 NR1H2 (0.50) NR1H2USP2SMN1; SMN2NR1H3RECQL
SCHEMBL13749174 0.87 NR1H2 (0.49) NR1H2USP2SMN1; SMN2NR1H3GPR119
SCHEMBL14829403 0.87 NR1H2 (0.49) NR1H2USP2SMN1; SMN2NR1H3GPR119
SCHEMBL14829637 0.87 NR1H2 (0.49) NR1H2USP2SMN1; SMN2NR1H3GPR119
SCHEMBL18394698 0.86 NPC1 (0.47) NR1H2USP2SMN1; SMN2NR1H3RECQL
SCHEMBL14916072 0.86 CFB (0.42) NR1H2USP2SMN1; SMN2NR1H3RECQL
SCHEMBL29529079 0.86 USP2 (0.40) NR1H2USP2SMN1; SMN2NR1H3RECQL

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
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 — — EP 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
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 NR1H2 3187/4885USP2 4335/4885SMN1; SMN2 2398/4885

“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.