SCHEMBL1554468

SCHEMBL1554468

O=C(O)/C(=C/c1cccc(F)c1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.64
AKR1C2 P52895 2/20 0.59
AKR1C1 Q04828 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.48
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FBP1 P09467 1/20 0.42

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
SCHEMBL1554470 1.00 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1KMT2AMEN1
SCHEMBL1553869 0.80 MAPT (0.58) AKR1C3AKR1C2KMT2AMEN1ALDH1A1
SCHEMBL1553872 0.80 MAPT (0.58) AKR1C3AKR1C2KMT2AMEN1ALDH1A1
SCHEMBL6934616 0.78 ALDH1A1 (0.67) AKR1C3AKR1C2AKR1C1KMT2AMEN1
SCHEMBL6934618 0.78 ALDH1A1 (0.67) AKR1C3AKR1C2AKR1C1KMT2AMEN1
SCHEMBL12709017 0.77 PTGS1 (0.65) AKR1C3AKR1C2KMT2ACYP1A2CYP3A4
SCHEMBL5698662 0.73 KMT2A (0.55) AKR1C3AKR1C2AKR1C1KMT2AMEN1
SCHEMBL1553884 0.73 MAPT (0.48) ALDH1A1POLBHTTCYP1A2CYP3A4
SCHEMBL1553882 0.73 MAPT (0.48) ALDH1A1POLBHTTCYP1A2CYP3A4
SCHEMBL5698669 0.73 KMT2A (0.55) AKR1C3AKR1C2AKR1C1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
EP-2246344-A1 Pyrimidine compounds and medicinal composition thereof Eisai R&D Management Co., Ltd. (JP) 2010-11-03 EP disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
EP-1439176-B1 PYRIMIDONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-03-21 EP disclosed
US-7160892-B2 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI CO., LTD. (JP) 2007-01-09 US disclosed
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1439176-A1 PYRIMIDONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2004-07-21 EP disclosed
EP-1439175-A1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-07-21 EP 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-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF CBR3, AHR, HCCS AKR1C3 76/4885AKR1C2 203/4885AKR1C1 179/4885
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof ADORA2B, ADORA2A, ADORA3 AKR1C3 59/4885AKR1C2 119/4885AKR1C1 134/4885

“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.