SCHEMBL82345

SCHEMBL82345

CNC(=O)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.39
CCNE2 O96020 4/20 0.38
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ROCK2 O75116 4/20 0.34
ROCK1 Q13464 3/20 0.34
CCNB2 O95067 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
FLT3 P36888 1/20 0.33

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
SCHEMBL5014883 0.88 CSF1R (0.36) CSF1RCCNE2CCNE1CDK2HDAC1
SCHEMBL79935 0.86 CSF1R (0.39) CSF1RCCNE2CCNE1CDK2HDAC1
SCHEMBL83293 0.86 GSK3A (0.38) CSF1RCCNE2CCNE1CDK2HDAC1
SCHEMBL5028849 0.86 FLT3 (0.37) CSF1RCCNE2CCNE1CDK2HDAC1
SCHEMBL5015656 0.86 CSF1R (0.39) CSF1RCCNE2CCNE1CDK2HDAC1
SCHEMBL80255 0.86 ROCK2 (0.43) HDAC1HDAC6CA1CA2NPC1
SCHEMBL5016201 0.84 L3MBTL1 (0.42) CSF1RCCNE2CCNE1CDK2HDAC1
SCHEMBL5015721 0.84 CSF1R (0.41) CSF1RCCNE2CCNE1CDK2HDAC1
SCHEMBL5027077 0.84 HDAC6 (0.36) CSF1RCCNE2CCNE1CDK2HDAC1
SCHEMBL81783 0.84 CSF1R (0.40) CSF1RCCNE2CCNE1CDK2HDAC1

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 5 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
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO 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 CSF1R 4123/4885CCNE2 1718/4885CCNE1 1419/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 CSF1R 3094/4885CCNE2 2670/4885CCNE1 2656/4885

“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.