SCHEMBL3450472

SCHEMBL3450472

Fc1ccc(-c2cc(Cl)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
LMNA P02545 3/20 0.54
NPC1 O15118 1/20 0.52
AR P10275 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 3/20 0.52
ATM Q13315 1/20 0.52
HSD17B10 Q99714 6/20 0.51
ALDH1A1 P00352 4/20 0.51
TSHR P16473 4/20 0.51
HPGD P15428 3/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 2/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
PIK3CA P42336 2/20 0.48
MTOR P42345 1/20 0.48
PIK3CG P48736 1/20 0.48

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
SCHEMBL3452085 0.86 NPSR1 (0.65) KDM4ETDP1L3MBTL1LMNAAR
SCHEMBL4927627 0.85 TDP1 (0.48) KDM4ETDP1L3MBTL1LMNAAR
SCHEMBL3998571 0.83 ALDH3A1 (0.53) KDM4ETDP1L3MBTL1LMNANPC1
SCHEMBL3991683 0.83 TDP1 (0.48) KDM4ETDP1L3MBTL1LMNANPC1
SCHEMBL3991686 0.83 TDP1 (0.51) KDM4ETDP1L3MBTL1LMNANPSR1
SCHEMBL3451613 0.81 HSD17B10 (0.53) KDM4EL3MBTL1LMNANPC1RAB9A
SCHEMBL2812564 0.79 PIK3CA (0.64) LMNAHSD17B10PIK3CAMTORHTT
SCHEMBL3232353 0.79 TSHR (0.56) KDM4ELMNANPC1ARRAB9A
SCHEMBL20576422 0.78 XDH (0.52) KDM4ETDP1L3MBTL1LMNANPC1
SCHEMBL17673774 0.78 MAPT (0.56) KDM4ETDP1L3MBTL1LMNANPSR1

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
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
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 KDM4E 3484/4885TDP1 936/4885L3MBTL1 4051/4885

“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.