SCHEMBL3451806

SCHEMBL3451806

OC1CCN(c2nc(Nc3ccc(OC(F)(F)F)cc3)cc(-c3ccccc3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 3/20 0.53
GALR1 P47211 2/20 0.53
PIK3CA P42336 3/20 0.50
ABL1 P00519 10/20 0.48
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
HPGD P15428 1/20 0.45
BCR P11274 5/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
IDH2 P48735 1/20 0.43

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 0.87 IDH2 (0.53) PIK3CAABL1HPGDBCRMAPK1
SCHEMBL13127052 0.83 PIK3CA (0.55) GALR2GALR1PIK3CAHPGDKDM4E
SCHEMBL3450867 0.82 GALR2 (0.51) GALR2ABL1KCNH2MCHR1BCR
SCHEMBL3452010 0.81 IDH2 (0.67) PIK3CAHPGDMAPTIDH2
SCHEMBL3452006 0.81 PIK3CA (0.53) GALR2GALR1PIK3CAHPGDMAPT
SCHEMBL3451143 0.81 PIK3CA (0.46) PIK3CAHPGDMAPTMAPK1IDH2
SCHEMBL4361997 0.80 GALR2 (0.48) GALR2GALR1ABL1KCNH2MCHR1
SCHEMBL3451034 0.79 PIK3CA (0.51) GALR2GALR1PIK3CAHPGDMAPT
SCHEMBL3451519 0.79 GALR1 (0.63) GALR2GALR1PIK3CAHPGDKDM4E
SCHEMBL10143797 0.78 GALR2 (0.83) GALR2GALR1ABL1BCR

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 GALR2 2962/4885GALR1 3000/4885PIK3CA 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.