SCHEMBL1401795

SCHEMBL1401795

O=C1CNC(=O)N1CCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 4/20 0.44
PABPC1 P11940 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
HTT P42858 3/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
QPCT Q16769 1/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
MEN1 O00255 2/20 0.36
RGS12 O14924 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4751064 0.94 TSHR (0.50) TSHRALDH1A1KMT2APABPC1L3MBTL1
SCHEMBL1969772 0.87 TSHR (0.55) TSHRALDH1A1KMT2AGSK3AGSK3B
SCHEMBL10974351 0.79 TSHR (0.47) TSHRALDH1A1KMT2AGSK3AGSK3B
SCHEMBL9755587 0.79 TSHR (0.47) TSHRALDH1A1KMT2AGSK3AGSK3B
SCHEMBL7453981 0.79 TSHR (0.47) TSHRKMT2AGSK3AGSK3BQPCT
SCHEMBL2527934 0.78
SCHEMBL2991298 0.78 MGLL (0.47) TSHRALDH1A1GSK3AGSK3B
SCHEMBL14761839 0.78 GSK3A (0.46) TSHRALDH1A1KMT2AGSK3AGSK3B
SCHEMBL10976405 0.78 TSHR (0.46) TSHRALDH1A1KMT2AGSK3AGSK3B
SCHEMBL11582516 0.77 QPCT (0.54) TSHRALDH1A1KMT2APABPC1L3MBTL1

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-8293902-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2012-10-23 US disclosed
EP-2292615-A1 Quinazoline compounds AstraZeneca AB (SE) 2011-03-09 EP disclosed
US-20090156821-A1 Quinazoline compounds ASTRAZENECA AB 2009-06-18 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
US-20080027069-A1 Quinazoline compounds ASTRAZENECA AB 2008-01-31 US disclosed
US-7268230-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-20050085465-A1 Angiogenesis inhibitor; antiarthritic agents; psoriasis; anticancer agents ASTRAZENECA AB (SE) 2005-04-21 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 (4 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 TSHR 1671/4885ALDH1A1 492/4885KMT2A 2872/4885
US-20050085465-A1 Angiogenesis inhibitor; antiarthritic agents; psoriasis; anticancer agents VEGFA, FLT4, FLT1 TSHR 3783/4885ALDH1A1 1174/4885KMT2A 3259/4885
US-20090156821-A1 Quinazoline compounds VEGFA, FLT4, FLT1 TSHR 2940/4885ALDH1A1 1080/4885KMT2A 2783/4885
US-20080027069-A1 Quinazoline compounds VEGFA, FLT4, FLT1 TSHR 2940/4885ALDH1A1 1080/4885KMT2A 2783/4885

“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.