SCHEMBL3453294

SCHEMBL3453294

OC1CCN(c2cc(-c3ccccc3)nc(N(Cc3ccccc3)C3=COCO3)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
HRH4 Q9H3N8 3/20 0.37
HRH1 P35367 2/20 0.37
HRH2 P25021 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3449984 0.87 NPSR1 (0.52) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL3452690 0.87 TSHR (0.38) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL3450643 0.83 HPGD (0.37) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL3452785 0.81 HSD17B10 (0.45) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL3451133 0.71 HPGD (0.68) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL3451730 0.70 HTT (0.55) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL3450828 0.69 HRH4 (0.42) MAPTNPSR1TSHRHSD17B10MAPK1
SCHEMBL3452044 0.69 KMT2A (0.51) ESR1ESR2MAPTNPSR1TSHR
SCHEMBL3452146 0.68 HPGD (0.47) ESR1ESR2MAPTNPSR1TSHR
SCHEMBL3451107 0.68 ADORA1 (0.54) MAPTNPSR1TSHRHSD17B10MAPK1

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
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US 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
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 ESR1 3690/4885ESR2 3329/4885MAPT 4276/4885

“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.