SCHEMBL83768

SCHEMBL83768

O=C(O)N(c1ccccc1)c1ncc2c[nH]nc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CCNE2 O96020 6/20 0.33
CCNE1 P24864 6/20 0.33
CDK2 P24941 6/20 0.33
CCNB2 O95067 3/20 0.32
CDK1 P06493 3/20 0.32
CCNB1 P14635 3/20 0.32
CCNB3 Q8WWL7 3/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL5014071 0.89 NPSR1 (0.34) NPSR1L3MBTL1ATMTDP1HDAC1
SCHEMBL5014878 0.87 HDAC6 (0.34) NPSR1L3MBTL1ATMTDP1HDAC1
SCHEMBL82344 0.86 HDAC1 (0.35) NPSR1L3MBTL1HDAC1HDAC6CCNE2
SCHEMBL83895 0.85 MEN1 (0.42) HDAC1HDAC6CCNE2CCNE1CDK2
SCHEMBL5015654 0.84 MEN1 (0.34) NPSR1L3MBTL1HDAC1HDAC6CCNE2
SCHEMBL83292 0.83 GSK3A (0.36) HDAC1HDAC6CCNE2CCNE1CDK2
SCHEMBL5028848 0.83 JAK2 (0.38) NPSR1HDAC1HDAC6CCNE2CCNE1
SCHEMBL5030203 0.82 PKM (0.38) KMT2ANPC1ALDH1A1HTTRAB9A
SCHEMBL80202 0.82 CCNE2 (0.34) NPSR1HDAC1HDAC6CCNE2CCNE1
SCHEMBL5027073 0.81 CCNE2 (0.35) HDAC1HDAC6CCNE2CCNE1CDK2

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 NPSR1 4692/4885L3MBTL1 4609/4885ATM 475/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 NPSR1 4207/4885L3MBTL1 4035/4885ATM 326/4885

“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.