SCHEMBL3450643

SCHEMBL3450643

OC1CCN(c2nc(-c3ccccc3)cc(N(Cc3ccccc3)C3=COCO3)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
POLB P06746 3/20 0.37
GAA P10253 3/20 0.37
GLA P06280 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HRH1 P35367 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 5/20 0.35
AOC3 Q16853 3/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL3453294 0.83 ESR1 (0.38) HPGDKDM4EALDH1A1POLBGAA
SCHEMBL3451175 0.74 HPGD (0.56) HPGDKDM4EALDH1A1POLBGAA
SCHEMBL3452078 0.72 HPGD (0.47) HPGDKDM4EALDH1A1POLBGAA
SCHEMBL3451507 0.70 ADORA1 (0.60) HPGDKDM4EALDH1A1POLBGAA
SCHEMBL3451730 0.70 HTT (0.55) KDM4EALDH1A1LMNAMEN1MAPT
SCHEMBL3452690 0.69 TSHR (0.38) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL3450953 0.69 KMT2A (0.41) POLBLMNAMEN1MAPTKMT2A
SCHEMBL3451637 0.69 HPGD (0.50) HPGDKDM4EALDH1A1POLBGAA
SCHEMBL1821436 0.65 PIK3CA (0.62) PIK3CA
SCHEMBL3452785 0.65 HSD17B10 (0.45) HPGDKDM4EALDH1A1GLAMAPT

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
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 HPGD 924/4885KDM4E 3484/4885ALDH1A1 3580/4885

“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.