SCHEMBL7922229

SCHEMBL7922229

Cc1cc(F)cc2[nH]cnc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PARP1 P09874 2/20 0.41
PNP P00491 1/20 0.38
ACLY P53396 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PRNP P04156 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDPK1 O15530 2/20 0.33
BRD4 O60885 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LMNA P02545 2/20 0.33
HTR6 P50406 1/20 0.32
POLB P06746 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
SCHEMBL616606 0.79 MAPT (0.41) MEN1KMT2APARP1PNPACLY
SCHEMBL3859120 0.79 PARP1 (0.56) MEN1KMT2APARP1PNPMAPT
SCHEMBL7919209 0.77 CTSS (0.42) MEN1KMT2APARP1PNPMAPT
SCHEMBL29804799 0.76 MEN1 (0.44) MEN1KMT2APARP1PNPMAPT
SCHEMBL29804903 0.76 MEN1 (0.44) MEN1KMT2APARP1PNPMAPT
SCHEMBL154615 0.76 MEN1 (0.44) MEN1KMT2APARP1PNPMAPT
SCHEMBL1285346 0.76 MEN1 (0.44) MEN1KMT2APARP1PNPMAPT
SCHEMBL12113051 0.76 MEN1 (0.44) MEN1KMT2APARP1PNPMAPT
SCHEMBL13898339 0.76 MEN1 (0.44) MEN1KMT2APARP1PNPMAPT
SCHEMBL7090535 0.76 PNP (0.46) MEN1KMT2APARP1PNPMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment UNIVERSITY OF SOUTH FLORIDA 2017-03-30 US disclosed
US-9556131-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA 2014-12-25 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
WO-2010052569-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2010-05-14 WO 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 (3 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-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT LIPA, LCT, GAA MEN1 2896/4885KMT2A 1425/4885PARP1 1285/4885
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD MEN1 3339/4885KMT2A 4567/4885PARP1 1592/4885
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment LIPA, LCT, GAA MEN1 2896/4885KMT2A 1425/4885PARP1 1285/4885

“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.