SCHEMBL79935

SCHEMBL79935

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
JAK2 O60674 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CCNE2 O96020 3/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
CCNB2 O95067 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
MAPK1 P28482 1/20 0.33
LMNA P02545 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
SCHEMBL81783 0.89 CSF1R (0.40) CSF1RNPSR1HDAC1HDAC6ROCK2
SCHEMBL5014883 0.87 CSF1R (0.36) CSF1RNPSR1HDAC1HDAC6ROCK2
SCHEMBL82345 0.86 CSF1R (0.39) CSF1RNPSR1HDAC1HDAC6ROCK2
SCHEMBL5015721 0.86 CSF1R (0.41) CSF1RNPSR1HDAC1HDAC6ROCK2
SCHEMBL5013510 0.85 CSF1R (0.38) CSF1RNPSR1HDAC1HDAC6ROCK2
SCHEMBL80255 0.85 ROCK2 (0.43) HDAC1HDAC6ROCK2ROCK1NPC1
SCHEMBL83293 0.83 GSK3A (0.38) CSF1RHDAC1HDAC6ROCK2ROCK1
SCHEMBL5015656 0.83 CSF1R (0.39) CSF1RHDAC1HDAC6ROCK2ROCK1
SCHEMBL5028849 0.83 FLT3 (0.37) CSF1RNPSR1HDAC1HDAC6JAK2
SCHEMBL83595 0.82 PKM (0.40) CSF1RROCK2ROCK1CCNE2CCNE1

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
EP-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 EP claimed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO claimed
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 CSF1R 4123/4885NPSR1 4692/4885HDAC1 1013/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 CSF1R 3094/4885NPSR1 4207/4885HDAC1 680/4885

“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.