SCHEMBL2184152

SCHEMBL2184152

[c]1ccc(NCCN2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
APAF1 O14727 1/20 0.48
NSD2 O96028 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.46
MALT1 Q9UDY8 1/20 0.46
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PKM P14618 1/20 0.43
TOP2A P11388 1/20 0.43

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
SCHEMBL996593 0.90 RAB9A (0.50) KMT2AMEN1TSHRKDM4ENPC1
SCHEMBL2184005 0.84 APAF1 (0.43) KMT2AMEN1APAF1NSD2NPC1
SCHEMBL5549334 0.83 MEN1 (0.68) KMT2AMEN1APAF1NSD2TSHR
SCHEMBL2181725 0.83 APAF1 (0.46) KMT2AMEN1APAF1NSD2NPC1
SCHEMBL1419239 0.81 KMT2A (0.52) KMT2AMEN1APAF1NSD2TSHR
SCHEMBL8245365 0.81 KMT2A (0.65) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL6671580 0.80 CYP3A4 (0.56) KMT2AMEN1TSHRKDM4ENPC1
SCHEMBL3222264 0.80 CD274 (0.55) KMT2AMEN1APAF1NSD2KDM4E
SCHEMBL13841388 0.80 TSHR (0.60) KMT2AMEN1TSHRKDM4ENPC1
SCHEMBL13034201 0.80 SIGMAR1 (0.58) KMT2AMEN1KDM4EL3MBTL1LMNA

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
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO disclosed
US-20010012899-A1 Oligomeric methine dyes CLARIANT FINANCE ( BVI) LIMITED 2001-08-09 US 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-20010012899-A1 Oligomeric methine dyes INMT, DDT, DDC KMT2A 612/4885MEN1 718/4885APAF1 3397/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR KMT2A 2750/4885MEN1 2044/4885APAF1 3065/4885

“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.