SCHEMBL3401709

SCHEMBL3401709

CN1CCN(Cc2ccc(N)cc2)CC1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
ALDH1A1 P00352 2/20 0.50
PIK3CD O00329 1/20 0.47
TLR7 Q9NYK1 1/20 0.42
MCHR1 Q99705 1/20 0.40
CHKA P35790 2/20 0.40
CA2 P00918 1/20 0.40
NCF1 P14598 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
SLC2A1 P11166 1/20 0.39
ALOX12 P18054 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
MC4R P32245 1/20 0.39
APP P05067 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL12642576 0.84 PIK3CD (0.47) LMNAPIK3CDMCHR1CA2HRH3
SCHEMBL221818 0.83 MC4R (0.58) LMNAALDH1A1PIK3CDMCHR1SLC2A1
SCHEMBL24663832 0.81 PIK3CD (0.57) LMNAALDH1A1PIK3CDMCHR1SLC2A1
SCHEMBL1994520 0.81 PIK3CA (0.44) LMNAPIK3CDTLR7SLC2A1APP
SCHEMBL16627096 0.80 COMT (0.52) ALDH1A1PIK3CDHRH3
SCHEMBL3053204 0.80 GAA (0.47) LMNAALDH1A1PIK3CDHRH3
SCHEMBL26133559 0.80 TLR7 (0.42) LMNAALDH1A1PIK3CDTLR7MCHR1
SCHEMBL1993592 0.78 KMT2A (0.58) LMNAALDH1A1PIK3CD
SCHEMBL3398174 0.78 MAPK1 (0.56) LMNAPIK3CDTLR7
SCHEMBL4293256 0.78 PIK3CD (0.45) LMNAPIK3CDTLR7SLC2A1HRH3

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 LMNA 3429/4885ALDH1A1 1389/4885PIK3CD 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.