SCHEMBL356819

SCHEMBL356819

O=C(Oc1ccc([N+](=O)[O-])cc1)OC(CF)CF

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
HTR2A P28223 1/20 0.50
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
MGLL Q99685 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSPB1 P04792 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL356806 0.85 BCL9 (0.57) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL8915013 0.85 BCL9 (0.50) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL30232724 0.82 BCL9 (0.51) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL29830631 0.82 BCL9 (0.58) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL29654784 0.80 HTR2A (0.52) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL26976971 0.80 MGLL (0.56) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL27108049 0.80 BCL9 (0.56) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL5712385 0.80 BCL9 (0.51) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL26374 0.80 GAA (0.65) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL1059539 0.80 HTR2A (0.60) BCL9CTNNB1HTR2AGAAKMT2A

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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 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 (1 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 BCL9 1839/4885CTNNB1 2154/4885HTR2A 624/4885

“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.