SCHEMBL3400731

SCHEMBL3400731

Cc1ccc(N)cc1C(=O)N1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
FASN P49327 1/20 0.36
CNR1 P21554 1/20 0.36
GFER P55789 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL3400735 1.00 HCRTR1 (0.41) HCRTR1HCRTR2GAAALDH1A1HPGD
SCHEMBL6337502 0.77 CA12 (0.46) GAAALDH1A1HPGDNPSR1CHRNA4
SCHEMBL6337466 0.77 CA12 (0.46) GAAALDH1A1HPGDNPSR1CHRNA4
SCHEMBL17774812 0.77 HPGD (0.55) GAAALDH1A1HPGDL3MBTL1NPSR1
SCHEMBL10126592 0.76 HPGD (0.54) GAAALDH1A1HPGDL3MBTL1NPSR1
SCHEMBL29451263 0.76 HPGD (0.54) GAAALDH1A1HPGDL3MBTL1NPSR1
SCHEMBL3396733 0.75 HSD17B10 (0.54) ALDH1A1HPGDL3MBTL1NPSR1CHRNA4
SCHEMBL3396729 0.75 HSD17B10 (0.54) ALDH1A1HPGDL3MBTL1NPSR1CHRNA4
SCHEMBL3399449 0.75 HRH4 (0.53) ALDH1A1HPGDL3MBTL1TSHR
SCHEMBL31173086 0.75 HRH4 (0.53) ALDH1A1HPGDL3MBTL1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 CN 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
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 HCRTR1 3874/4885HCRTR2 4092/4885GAA 862/4885

“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.