SCHEMBL3452140

SCHEMBL3452140

OC1CCC(Nc2cc(-c3ccccc3)nc(-n3cccc3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.56
PIM1 P11309 6/20 0.44
PIM2 Q9P1W9 4/20 0.43
FLT3 P36888 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
VCP P55072 1/20 0.41
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
ADORA2B P29275 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.40
ITK Q08881 2/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL3450774 0.80 MEN1 (0.50) PIK3CAPIM1PIM2FLT3MAPK8
SCHEMBL3452146 0.75 HPGD (0.47) PIK3CATSHRSMN1; SMN2HRH1HRH4
SCHEMBL13309918 0.74 ADORA1 (0.60) VCPADORA2AADORA1ADORA2BADORA3
SCHEMBL1822844 0.72 PIK3CA (1.00) PIK3CA
SCHEMBL11983516 0.72 LMNA (0.47) PIM1VCPADORA2AADORA1SMN1; SMN2
SCHEMBL3451258 0.69 CDC7 (0.58) PIM1PIM2FLT3MAPK8MAPK9
SCHEMBL13127013 0.69 SYK (0.47) PIK3CAPIM2FLT3MAPK8MAPK9
SCHEMBL3450685 0.69 VCP (0.56) VCPADORA2AADORA1ADORA3SMN1; SMN2
SCHEMBL13309931 0.68 ADORA1 (0.63) VCPADORA2AADORA1ADORA3SMN1; SMN2
SCHEMBL3451175 0.67 HPGD (0.56) PIK3CATSHRSMN1; SMN2

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 9 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
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 PIK3CA 231/4885PIM1 3972/4885PIM2 4124/4885

“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.