SCHEMBL9908776

SCHEMBL9908776

CC(CN)(NCc1ccccc1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2D6 P10635 4/20 0.41
CYP1A2 P05177 3/20 0.41
PRMT1 Q99873 1/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
SLC6A2 P23975 1/20 0.38
ATM Q13315 1/20 0.37
RIPK1 Q13546 1/20 0.37
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2372655 0.80 GAA (0.47) IDO1MAPTALDH1A1TAAR1MEN1
SCHEMBL7316409 0.77 IDO1 (0.46) IDO1CYP3A4CYP2D6CYP1A2PRMT1
SCHEMBL105639 0.77 MAPT (0.45) IDO1CYP3A4CYP2D6MAPTKDM4E
SCHEMBL40001 0.72 IDO1 (0.48) IDO1CYP3A4MAPTKDM4EALDH1A1
SCHEMBL125129 0.72 CYP3A4 (0.52) IDO1CYP3A4CYP2D6MAPTKDM4E
SCHEMBL9844619 0.70 IDO1 (0.43) IDO1CYP3A4CYP2D6CYP1A2PRMT1
SCHEMBL9107866 0.70 CYP3A4 (0.42) IDO1CYP3A4CYP2D6MAPTKDM4E
SCHEMBL9107862 0.70 CYP3A4 (0.42) IDO1CYP3A4CYP2D6MAPTKDM4E
SCHEMBL28874683 0.70 ALDH1A1 (0.48) MAPTALDH1A1RIPK1LMNAGAA
SCHEMBL932297 0.70 CYP3A4 (0.42) IDO1CYP3A4CYP2D6MAPTKDM4E

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
EP-2448939-B1 2,3-DIHYDRO-1H-IMIDAZO {1,2-A} PYRIMIDIN-5-ONE DERIVATIVES, THE PREPARATION AND PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2017-03-01 EP disclosed
US-8828997-B2 2,3-dihydro-1H-imidazo(1,2-a)pyrimidin-5-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-09 US disclosed
US-8828997-B2 2,3-dihydro-1H-imidazo(1,2-a)pyrimidin-5-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-09 US disclosed
US-20120142679-A1 NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-06-07 US disclosed
US-20120142679-A1 NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-06-07 US disclosed
WO-2011001112-A1 NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 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 (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-20120142679-A1 NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF LPXN, LBR, HCLS1 IDO1 103/4885CYP3A4 145/4885CYP2D6 19/4885

“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.