SCHEMBL910047

SCHEMBL910047

Nc1ccc(-c2nc(-c3ccncc3)nc(N3CCN(C(=O)CCl)CC3)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.49
MTOR P42345 5/20 0.49
PIK3R1 P27986 3/20 0.49
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
HRH4 Q9H3N8 2/20 0.44
PARP1 P09874 2/20 0.43
PIK3CG P48736 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
PANK3 Q9H999 1/20 0.37
HPGD P15428 1/20 0.37
SLC6A7 Q99884 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CPT1A P50416 1/20 0.36
DGAT1 O75907 1/20 0.36
HTR6 P50406 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL909712 0.89 HRH4 (0.48) PIK3CAMTORPIK3R1CKS1BSKP1
SCHEMBL910089 0.85 PIK3CA (0.71) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL907946 0.78 PIK3CA (0.46) PIK3CAMTORPIK3R1CKS1BSKP1
SCHEMBL6523142 0.76 PRKCI (0.45) PIK3CAMTORCKS1BSKP1SKP2
SCHEMBL910184 0.74 PIK3CA (0.47) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL13012631 0.73 CKS1B (0.47) CKS1BSKP1SKP2ALDH1A1
SCHEMBL909555 0.73 PIK3CA (0.69) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL21876102 0.73 CKS1B (0.49) CKS1BSKP1SKP2ALDH1A1DGAT1
SCHEMBL6522275 0.71 PIK3CD (0.64) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL29183814 0.70 PIK3CA (0.62) PIK3CAMTORPIK3R1PARP1PIK3CG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 US claimed
EP-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP claimed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 WO claimed
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 US disclosed
EP-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP disclosed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 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-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY PIK3CA, PIK3R5, PIK3CD PIK3CA 1/4885MTOR 88/4885PIK3R1 6/4885

“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.