SCHEMBL3452010

SCHEMBL3452010

OC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)cc(-c3ccccc3)n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 14/20 0.67
LRRK2 Q5S007 1/20 0.55
PIK3CA P42336 1/20 0.53
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
APP P05067 1/20 0.46

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
SCHEMBL3452881 0.90 IDH2 (0.53) IDH2LRRK2PIK3CAHPGD
SCHEMBL3451414 0.86 PIK3CA (0.66) IDH2PIK3CAMAPT
SCHEMBL3451143 0.83 PIK3CA (0.46) IDH2PIK3CAMAPTHPGD
SCHEMBL3453662 0.82 IDH2 (0.67) IDH2LRRK2MAPT
SCHEMBL3451806 0.81 GALR2 (0.53) IDH2PIK3CAMAPTHPGD
SCHEMBL28455255 0.81 IDH2 (1.00) IDH2LRRK2MAPTAPP
SCHEMBL30568804 0.81 IDH2 (1.00) IDH2LRRK2MAPTAPP
SCHEMBL13127052 0.80 PIK3CA (0.55) PIK3CAMAPTHPGDMEN1ALDH1A1
SCHEMBL3450640 0.78 PIK3CA (0.51) PIK3CAMAPTALDH1A1
SCHEMBL3451519 0.78 GALR1 (0.63) PIK3CAMAPTHPGDMEN1ALDH1A1

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-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP claimed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS IDH2 3642/4885LRRK2 2189/4885PIK3CA 231/4885

“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.