SCHEMBL11976993

SCHEMBL11976993

COc1ccc(C(=O)N2CCOCC2)cc1C(C)C

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.70
HSP90AB1 P08238 2/20 0.70
KMT2A Q03164 3/20 0.68
GLA P06280 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL18929812 0.90 HSP90AA1 (0.66) HSP90AA1HSP90AB1KMT2AGLAL3MBTL1
SCHEMBL19651827 0.88 HPGD (0.65) HSP90AA1HSP90AB1KMT2AGLAL3MBTL1
SCHEMBL19651816 0.88 HPGD (0.61) HSP90AA1HSP90AB1KMT2AGLAL3MBTL1
SCHEMBL11976991 0.85 POLB (0.57) HSP90AA1HSP90AB1KMT2AGLAL3MBTL1
SCHEMBL9173237 0.85 KMT2A (0.77) KMT2AGLAL3MBTL1HPGDALDH1A1
SCHEMBL13816278 0.85 HSP90AA1 (0.79) HSP90AA1HSP90AB1KMT2AGLAL3MBTL1
SCHEMBL487641 0.82 HSP90AA1 (1.00) HSP90AA1HSP90AB1KMT2AGLAL3MBTL1
SCHEMBL12545945 0.82 HSP90AA1 (0.75) HSP90AA1HSP90AB1KMT2AGLAL3MBTL1
SCHEMBL14345429 0.82 KMT2A (0.73) KMT2AGLAL3MBTL1HPGDALDH1A1
SCHEMBL11976994 0.81 HSP90AA1 (0.73) HSP90AA1HSP90AB1KMT2AGLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP HSP90AA1 1463/4885HSP90AB1 1429/4885KMT2A 2222/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP HSP90AA1 1463/4885HSP90AB1 1429/4885KMT2A 2222/4885

“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.