SCHEMBL3934065

SCHEMBL3934065

COc1cc(C[O])c(F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
ERN1 O75460 1/20 0.35
MEN1 O00255 2/20 0.33
PABPC1 P11940 2/20 0.33
KMT2A Q03164 2/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
LOX P28300 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
RPS6KA3 P51812 1/20 0.33
GABRP O00591 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
SCHEMBL16800619 0.87 NNMT (0.39) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL3313569 0.83 NNMT (0.39) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL14288612 0.81 CYP3A4 (0.40) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL3938113 0.81 CYP3A4 (0.37) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL30240885 0.81 CYP3A4 (0.37) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL14288596 0.80 HMGCR (0.41) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL24853428 0.80 FFAR4 (0.44) NNMTFFAR4MTNR1AMTNR1BMEN1
SCHEMBL13414017 0.76 CYP3A4 (0.35) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL3932260 0.76 MTNR1A (0.41) NNMTCYP3A4CYP2C9FFAR4MTNR1A
SCHEMBL18314758 0.76 NNMT (0.39) NNMTFFAR4MTNR1AMTNR1BERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP claimed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO claimed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US claimed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2009019518-A1 PYRIMIDINE COMPOUNDS HAVING A FGFR INHIBITORY EFFECT ASTRAZENECA AB (SE) 2009-02-12 WO disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 NNMT 3309/4885CYP3A4 71/4885CYP2C9 142/4885

“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.