SCHEMBL83205

SCHEMBL83205

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
CD38 P28907 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
HTR2C P28335 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
TRPV1 Q8NER1 4/20 0.34
FLT3 P36888 1/20 0.34
EGFR P00533 1/20 0.34
PABPC1 P11940 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL83204 0.87 CXCR1 (0.38) CXCR1CXCR2MEN1KMT2AHDAC1
SCHEMBL83602 0.84 CD38 (0.44) CD38
SCHEMBL80255 0.82 ROCK2 (0.43) MEN1KMT2AHDAC1HDAC6GAA
SCHEMBL78828 0.80 KMT2A (0.38) MEN1KMT2AHDAC1HDAC6GAA
SCHEMBL77813 0.79 RAB9A (0.45) GAALMNANPC1PKMFLT3
SCHEMBL79492 0.78 MEN1 (0.41) MEN1KMT2AHDAC1HDAC6GAA
SCHEMBL80203 0.77 HDAC6 (0.34) MEN1KMT2AHDAC1HDAC6NPC1
SCHEMBL5014883 0.75 CSF1R (0.36) HDAC1HDAC6NPC1ROCK2ROCK1
SCHEMBL79583 0.75 RAB9A (0.48) LMNANPC1
SCHEMBL81868 0.75 L3MBTL1 (0.49) TRPV1EGFR

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 CXCR1 3180/4885CXCR2 1364/4885CD38 3679/4885

“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.