SCHEMBL3451108

SCHEMBL3451108

CN1CCN(c2cc(-c3ccc(F)cc3)nc(-c3ccccc3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.64
HTR3A P46098 1/20 0.64
HPGD P15428 2/20 0.62
MAPT P10636 4/20 0.62
KDM4E B2RXH2 4/20 0.62
LMNA P02545 2/20 0.62
NPSR1 Q6W5P4 2/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 1/20 0.60
TSHR P16473 2/20 0.59
MAPK1 P28482 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HRH1 P35367 2/20 0.56
HRH2 P25021 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL3452028 0.92 HRH4 (0.74) HRH4HTR3AHPGDMAPTKDM4E
SCHEMBL5213504 0.86 MAPT (0.58) HRH4HTR3AHPGDMAPTKDM4E
SCHEMBL3451651 0.82 MAPT (0.61) HPGDMAPTKDM4ELMNANPSR1
SCHEMBL3451855 0.81 HRH4 (0.70) HRH4HTR3AHPGDALDH1A1HRH1
SCHEMBL4001904 0.81 L3MBTL1 (0.56) HRH4HTR3AHPGDMAPTKDM4E
SCHEMBL2166566 0.78 HRH4 (0.94) HRH4HTR3ALMNATSHRHSD17B10
SCHEMBL2167865 0.78 HRH4 (1.00) HRH4HTR3ALMNATSHRHSD17B10
SCHEMBL11789840 0.78 LMNA (0.56) HRH4HTR3AHPGDMAPTKDM4E
SCHEMBL13309949 0.77 HPGD (1.00) HPGDMAPTKDM4ELMNANPSR1
SCHEMBL3450414 0.77 HPGD (0.67) HRH4HTR3AHPGDMAPTKDM4E

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 HRH4 2405/4885HTR3A 3978/4885HPGD 924/4885

“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.