SCHEMBL80255

SCHEMBL80255

O=C(Nc1ccccc1)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 3/20 0.43
HTT P42858 1/20 0.43
FLT3 P36888 1/20 0.42
BRAF P15056 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
JAK2 O60674 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
SCHEMBL79492 0.93 MEN1 (0.41) ROCK2ROCK1HTTFLT3BRAF
SCHEMBL77813 0.91 RAB9A (0.45) FLT3RAB9AKDM4ENPC1GAA
SCHEMBL5014883 0.87 CSF1R (0.36) ROCK2ROCK1FLT3BRAFCA1
SCHEMBL82345 0.86 CSF1R (0.39) ROCK2ROCK1FLT3BRAFCA1
SCHEMBL78828 0.85 KMT2A (0.38) ROCK2ROCK1FLT3BRAFMEN1
SCHEMBL79935 0.85 CSF1R (0.39) ROCK2ROCK1HTTFLT3BRAF
SCHEMBL81359 0.84 FLT3 (0.45) FLT3HDAC1
SCHEMBL77343 0.84 NPC1 (0.47) FLT3MEN1KMT2ARAB9ANPC1
SCHEMBL5017723 0.83 CA1 (0.38) ROCK2ROCK1FLT3BRAFMEN1
SCHEMBL81783 0.83 CSF1R (0.40) ROCK2ROCK1FLT3BRAFCA1

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 3 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
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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 (2 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 ROCK2 840/4885ROCK1 1271/4885HTT 2592/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 ROCK2 1055/4885ROCK1 1361/4885HTT 1530/4885

“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.