SCHEMBL3401678

SCHEMBL3401678

CC(C)(C)OC(=O)N1CCN(Cc2cc(N)ccn2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.47
P2RX7 Q99572 1/20 0.39
PIK3CD O00329 1/20 0.39
POLB P06746 1/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
ESR2 Q92731 1/20 0.38
DTYMK P23919 1/20 0.38
TP53 P04637 1/20 0.38
KDM1A O60341 1/20 0.38
GPR119 Q8TDV5 4/20 0.38
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.38
MAP4K4 O95819 1/20 0.37
FAAH O00519 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37

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
SCHEMBL4285303 0.83 TBK1 (0.47) NR1H2POLBGPR119ACHEMAP4K4
SCHEMBL27915879 0.81 P2RX7 (0.34) NR1H2P2RX7MAPK1
SCHEMBL4297578 0.80 NR1H2 (0.50) NR1H2ESR2TP53KDM1AMAPK1
SCHEMBL3400888 0.80 KMT2A (0.54) NR1H2P2RX7PIK3CDESR2TP53
SCHEMBL6455362 0.78 PIK3CD (0.42) NR1H2P2RX7PIK3CDPOLBESR2
SCHEMBL18291693 0.77 TP53 (0.43) NR1H2PIK3CDDTYMKTP53GPR119
SCHEMBL6895341 0.75 GPR119 (0.45) GPR119
SCHEMBL1049753 0.75 HDAC1 (0.50) POLBDTYMKTP53GPR119MAPK1
SCHEMBL27824924 0.74 F10 (0.36) P2RX7MAPK1
SCHEMBL4064456 0.74 F10 (0.52) NR1H2PIK3CDTP53MAP4K4SMARCA2

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 4 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
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
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 3187/4885P2RX7 1663/4885PIK3CD 400/4885

“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.