SCHEMBL2640929

SCHEMBL2640929

CC(O)N(C(N)=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.52
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MLYCD O95822 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPM8 Q7Z2W7 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4202113 0.86 ALDH1A1 (0.59) ALOX5ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL13519347 0.83 ALDH1A1 (0.52) ALOX5ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL27274107 0.82 ALDH1A1 (0.47) ALOX5ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL10576787 0.82 ALDH1A1 (0.47) ALOX5ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL11816665 0.80 ALDH1A1 (0.52) ALOX5ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL7496394 0.80 TSHR (0.41) ALOX5ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL11569052 0.80 TSHR (0.41) ALOX5ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL28872772 0.79 ALDH1A1 (0.45) ALOX5ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL19305857 0.79 F7 (0.47) ALDH1A1TP53SMN1; SMN2CYP3A4TSHR
SCHEMBL10907926 0.78 ALOX5 (0.46) ALOX5ALDH1A1LMNATP53SMN1; SMN2

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 ALOX5 2324/4885ALDH1A1 2453/4885LMNA 4796/4885

“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.