SCHEMBL1636409

SCHEMBL1636409

Cn1ccnc1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.44
PTK2B Q14289 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
HTR1A P08908 1/20 0.43
CASP3 P42574 1/20 0.42

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
SCHEMBL22310247 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1PKMHSD17B10
SCHEMBL22832786 0.77 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTRECQL
SCHEMBL9365810 0.77 CASP3 (0.54) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL27031503 0.77 CASP3 (0.47) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL29878976 0.77 CASP3 (0.47) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL4236092 0.72 PKM (0.41) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL10430902 0.72 ALDH1A1 (0.68) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL29843133 0.72 ALDH1A1 (0.68) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL11094158 0.72 HTR1A (0.47) MAPTHTR1A
SCHEMBL2891710 0.71 ALDH1A1 (0.45) MEN1KMT2AALDH1A1PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP disclosed
CN-1057091-C Novelc arbapenem derivatives MEIJI SEIKA CO (JP) 2000-10-04 CN disclosed
CN-1148390-A Novelc arbapenem derivatives MEIJI SEIKA CO (JP) 1997-04-23 CN 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 (2 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 MEN1 1008/4885KMT2A 474/4885ALDH1A1 2045/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 MEN1 1361/4885KMT2A 488/4885ALDH1A1 1901/4885

“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.