SCHEMBL3450828

SCHEMBL3450828

CN1CCN(c2cc(N(Cc3ccccc3)C3=COCO3)nc(-c3ccccc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.42
HRH1 P35367 2/20 0.42
HRH2 P25021 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTT P42858 1/20 0.40
CXCR4 P61073 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR3A P46098 1/20 0.39
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3451730 0.89 HTT (0.55) HTTLMNAMAPTTSHRMAPK1
SCHEMBL3450953 0.79 KMT2A (0.41) HTTLMNAMAPTTSHRKMT2A
SCHEMBL3449984 0.71 NPSR1 (0.52) HRH4HRH1HRH2HRH3HTT
SCHEMBL3452028 0.69 HRH4 (0.74) HRH4HRH1HRH2HRH3HTT
SCHEMBL3450643 0.69 HPGD (0.37) HRH4HRH1HTTLMNAMAPT
SCHEMBL11789840 0.67 LMNA (0.56) HRH4HTTLMNAMAPTTSHR
SCHEMBL2166183 0.66 HRH4 (0.59) HRH4HRH3HTR3ASMN1; SMN2
SCHEMBL4133791 0.65 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL20840608 0.65 MAPT (0.52) HRH4HRH1HRH2HRH3HTT
SCHEMBL11789666 0.64 MAPT (0.65) HRH4HTTLMNAMAPTTSHR

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 5 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-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 2405/4885HRH1 2475/4885HRH2 2235/4885

“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.