SCHEMBL1969772

SCHEMBL1969772

O=C1CNC(=O)N1CCO

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
KMT2A Q03164 2/20 0.43
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
RIN1 Q13671 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
QPCT Q16769 1/20 0.33

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
SCHEMBL1401795 0.87 TSHR (0.52) TSHRGSK3AGSK3BKMT2AABL1
SCHEMBL4751064 0.85 TSHR (0.50) TSHRGSK3AGSK3BKMT2AABL1
SCHEMBL2527934 0.81
Ammonia Solution, Strong SCHEMBL11623974 0.79 TSHR (0.57) TSHRGSK3AGSK3BKMT2AABL1
SCHEMBL839846 0.77 TSHR (0.50) TSHRGSK3AGSK3BKMT2AABL1
SCHEMBL10979078 0.77 TSHR (0.50) TSHRGSK3AGSK3BKMT2AABL1
SCHEMBL10963438 0.77 TSHR (0.50) TSHRGSK3AGSK3BKMT2AABL1
SCHEMBL7330397 0.77 TSHR (0.50) TSHRGSK3AGSK3BKMT2AABL1
SCHEMBL853544 0.77 TSHR (0.50) TSHRGSK3AGSK3BKMT2AABL1
SCHEMBL11020365 0.77 TSHR (0.66) TSHRGSK3AGSK3BKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847532-B1 IGF-1R INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2013-06-05 EP disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 TSHR 4302/4885GSK3A 4124/4885GSK3B 4020/4885
US-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 TSHR 61/4885GSK3A 2888/4885GSK3B 2061/4885

“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.