SCHEMBL3450867

SCHEMBL3450867

OC1CCN(c2cc(-c3ccccc3)nc(Nc3ccc(OC(F)(F)F)cc3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.51
ABL1 P00519 7/20 0.48
TRPV1 Q8NER1 1/20 0.44
IDH2 P48735 1/20 0.43
MCHR1 Q99705 2/20 0.42
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCHR2 Q969V1 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHRNA7 P36544 1/20 0.41
BCR P11274 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
SCHEMBL3452164 0.86 HRH4 (0.48) IDH2HRH1HRH4KDM4EMEN1
SCHEMBL3450413 0.86 ABL1 (0.56) GALR2ABL1MCHR1MEN1ALDH1A1
SCHEMBL3451194 0.85 HPGD (0.52) ABL1KDM4EMEN1ALDH1A1GLA
SCHEMBL3451806 0.82 GALR2 (0.53) GALR2ABL1TRPV1IDH2MCHR1
SCHEMBL3450492 0.82 HRH4 (0.45) IDH2HRH1HRH4KDM4EMEN1
SCHEMBL3453662 0.81 IDH2 (0.67) IDH2MAPT
SCHEMBL3451124 0.81 HRH4 (0.44) IDH2HRH1HRH4KDM4EMEN1
SCHEMBL3451626 0.81 GSK3B (0.47) IDH2ALDH1A1GAAMAPT
SCHEMBL4002840 0.80 SCN9A (0.46) GALR2ABL1KDM4EMEN1ALDH1A1
SCHEMBL3451248 0.80 MAPK8 (0.54) HRH1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US claimed
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
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP 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
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS GALR2 2962/4885ABL1 4436/4885TRPV1 3102/4885

“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.