SCHEMBL3451672

SCHEMBL3451672

COc1ccc(Nc2cc(-c3ccccc3)nc(N3CCC(O)CC3)n2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PIK3CA P42336 7/20 0.49
PIK3CG P48736 1/20 0.49
GALR2 O43603 2/20 0.48
GALR1 P47211 2/20 0.48
PIK3CD O00329 1/20 0.46
PIK3CB P42338 1/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
MALT1 Q9UDY8 2/20 0.45
TUBB4A P04350 1/20 0.45

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
SCHEMBL3451519 0.89 GALR1 (0.63) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL3452390 0.83 TUBB4A (0.49) GALR2GALR1MAPTMALT1TUBB4A
SCHEMBL3452098 0.83 MALT1 (0.47) KDM4EALDH1A1GALR2GALR1POLB
SCHEMBL3451143 0.81 PIK3CA (0.46) HPGDMAPK1SMN1; SMN2HSD17B10PIK3CA
SCHEMBL3450235 0.81 BCL6 (0.46) KDM4EALDH1A1HPGDGALR2GALR1
SCHEMBL1819911 0.81 PIK3CA (0.75) PIK3CAPIK3CGPIK3CDPIK3CBPOLB
SCHEMBL13127052 0.80 PIK3CA (0.55) KDM4EALDH1A1HPGDSMN1; SMN2PIK3CA
SCHEMBL3452006 0.79 PIK3CA (0.53) HPGDSMN1; SMN2PIK3CAPIK3CGGALR2
SCHEMBL3451034 0.78 PIK3CA (0.51) HPGDSMN1; SMN2PIK3CAGALR2GALR1
SCHEMBL3450640 0.78 PIK3CA (0.51) KDM4EALDH1A1TSHRPIK3CAPIK3CG

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
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
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 KDM4E 3484/4885ALDH1A1 3580/4885HPGD 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.