SCHEMBL2640927

SCHEMBL2640927

CCN(C(=O)NO)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
ALDH1A1 P00352 3/20 0.66
GLA P06280 1/20 0.66
TSHR P16473 1/20 0.66
HDAC1 Q13547 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HPGD P15428 2/20 0.54
TP53 P04637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL966694 0.85 MEN1 (0.69) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL11617583 0.83 MEN1 (0.67) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL10705442 0.83 MAPT (0.54) MEN1KMT2AALDH1A1TSHRHDAC1
SCHEMBL965733 0.83 MEN1 (0.67) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL4294745 0.83 MEN1 (0.67) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL22609141 0.81 KMT2A (0.47) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL4304223 0.81 MEN1 (1.00) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL11659307 0.81 MEN1 (0.65) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL4286532 0.80 MEN1 (0.63) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL19305858 0.80 HTT (0.55) MEN1KMT2AALDH1A1GLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
EP-1750704-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Company (US) 2007-02-14 EP disclosed
WO-2005113537-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO 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 (1 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD MEN1 2562/4885KMT2A 3336/4885ALDH1A1 2453/4885

“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.