SCHEMBL3452146

SCHEMBL3452146

OC1CCN(c2cc(-c3ccccc3)nc(-n3cccc3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
GLA P06280 2/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIK3CA P42336 2/20 0.45
TSHR P16473 4/20 0.45
HSD17B10 Q99714 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
HRH4 Q9H3N8 3/20 0.43
HTR3A P46098 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
SCHEMBL3451133 0.82 HPGD (0.68) HPGDKMT2AMAPTKDM4ELMNA
SCHEMBL3450855 0.82 HPGD (0.42) HPGDKMT2AMAPTKDM4ELMNA
SCHEMBL3451175 0.81 HPGD (0.56) HPGDKMT2AMAPTKDM4ELMNA
SCHEMBL3452044 0.80 KMT2A (0.51) HPGDKMT2AMAPTKDM4ELMNA
SCHEMBL3452659 0.77 MAPK8 (0.43) HPGDKMT2AMAPTKDM4ELMNA
SCHEMBL3451651 0.76 MAPT (0.61) HPGDKMT2AMAPTKDM4ELMNA
SCHEMBL3452164 0.76 HRH4 (0.48) HPGDKMT2AMAPTKDM4ELMNA
SCHEMBL3452140 0.75 PIK3CA (0.56) PIK3CATSHRHRH4HRH1SMN1; SMN2
SCHEMBL3451637 0.75 HPGD (0.50) HPGDKMT2AMAPTKDM4ELMNA
SCHEMBL1821814 0.72 PIK3CA (0.86) PIK3CA

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 4 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 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 HPGD 924/4885KMT2A 4623/4885MAPT 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.