SCHEMBL79583

SCHEMBL79583

O=C(Nc1ccc(N2CCOCC2)nc1)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
CYP1A2 P05177 2/20 0.48
DGAT1 O75907 9/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
STAT3 P40763 1/20 0.44
MTOR P42345 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43

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
SCHEMBL81868 0.89 L3MBTL1 (0.49) RAB9ADGAT1SMN1; SMN2MAPTMTOR
SCHEMBL79582 0.87 RAB9A (0.46) RAB9ACYP1A2DGAT1NPC1SMN1; SMN2
SCHEMBL83602 0.82 CD38 (0.44) MTOR
SCHEMBL81359 0.80 FLT3 (0.45)
SCHEMBL80255 0.80 ROCK2 (0.43) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL77343 0.80 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MAPTMTOR
SCHEMBL78828 0.78 KMT2A (0.38) RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL77813 0.76 RAB9A (0.45) RAB9ANPC1LMNA
SCHEMBL82336 0.76 L3MBTL1 (0.47) RAB9ADGAT1SMN1; SMN2MAPTMTOR
SCHEMBL79492 0.76 MEN1 (0.41) RAB9ANPC1SMN1; SMN2LMNAHTT

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 RAB9A 1390/4885CYP1A2 1231/4885DGAT1 3891/4885

“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.