SCHEMBL2640937

SCHEMBL2640937

CCON(C(=O)NN(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 6/20 0.40
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2641138 0.83 KMT2A (0.42) HTTKMT2AMEN1ALDH1A1TSHR
SCHEMBL5510183 0.79 TP53 (0.41) HTTKMT2AMEN1ALDH1A1TSHR
SCHEMBL25336401 0.79 ALDH1A1 (0.47) HTTKMT2AMEN1ALDH1A1TSHR
SCHEMBL5512049 0.79 ALDH1A1 (0.47) HTTKMT2AMEN1ALDH1A1TSHR
SCHEMBL7748109 0.78 KMT2A (0.39) HTTKMT2AMEN1ALDH1A1TSHR
SCHEMBL13603966 0.78 ALDH1A1 (0.46) HTTKMT2AMEN1ALDH1A1TSHR
SCHEMBL5932403 0.78 ALDH1A1 (0.46) HTTKMT2AMEN1ALDH1A1TSHR
SCHEMBL5516706 0.77 FKBP1A (0.38) HTTKMT2AMEN1ALDH1A1TSHR
SCHEMBL6692879 0.77 MEN1 (0.38) KMT2AMEN1ALDH1A1TSHRGLA
SCHEMBL11133560 0.77 TSHR (0.46) KMT2AMEN1ALDH1A1TSHRGLA

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 2 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

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 HTT 2592/4885KMT2A 3336/4885MEN1 2562/4885

“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.