SCHEMBL3450708

SCHEMBL3450708

Clc1nc(NCc2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HRH4 Q9H3N8 3/20 0.55
HRH1 P35367 1/20 0.55
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
XDH P47989 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
VCP P55072 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL3228726 0.85 HRH4 (0.57) ALDH1A1L3MBTL1HPGDSMN1; SMN2MEN1
SCHEMBL9884921 0.82 DAPK3 (0.56) ALDH1A1L3MBTL1HPGDSMN1; SMN2LMNA
SCHEMBL3451178 0.81 HRH4 (0.55) ALDH1A1L3MBTL1HPGDSMN1; SMN2MEN1
SCHEMBL15757390 0.81 HRH4 (0.74) SMN1; SMN2HRH4HRH1VCP
SCHEMBL4216805 0.79 LMNA (0.58) ALDH1A1L3MBTL1HPGDSMN1; SMN2MEN1
SCHEMBL3457749 0.79 KMT2A (0.54) ALDH1A1L3MBTL1HPGDSMN1; SMN2MEN1
SCHEMBL3233802 0.78 TLR8 (0.71) ALDH1A1L3MBTL1HPGDSMN1; SMN2MEN1
SCHEMBL13329902 0.78 KCNH3 (0.60) L3MBTL1SMN1; SMN2HRH4HRH1LMNA
SCHEMBL3473227 0.77 MEN1 (0.66) ALDH1A1L3MBTL1HPGDSMN1; SMN2MEN1
SCHEMBL416616 0.77 MEN1 (0.66) ALDH1A1L3MBTL1HPGDSMN1; SMN2MEN1

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 ALDH1A1 3580/4885L3MBTL1 4051/4885HPGD 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.