SCHEMBL909712

SCHEMBL909712

Nc1ncc(-c2nc(-c3ccncc3)nc(N3CCN(C(=O)CCl)CC3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.48
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
PIK3CA P42336 12/20 0.45
MTOR P42345 7/20 0.45
PIK3R1 P27986 5/20 0.45
PARP1 P09874 2/20 0.42
BRAF P15056 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.38
HTR6 P50406 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL910047 0.89 PIK3CA (0.49) HRH4CKS1BSKP1SKP2PIK3CA
SCHEMBL909555 0.83 PIK3CA (0.69) PIK3CAMTORPIK3R1PARP1BRAF
SCHEMBL907946 0.80 PIK3CA (0.46) HRH4CKS1BSKP1SKP2PIK3CA
SCHEMBL6523142 0.78 PRKCI (0.45) CKS1BSKP1SKP2PIK3CAMTOR
SCHEMBL910184 0.78 PIK3CA (0.47) PIK3CAMTORPIK3R1PARP1BRAF
SCHEMBL910089 0.74 PIK3CA (0.71) PIK3CAMTORPIK3R1PARP1PIK3CD
SCHEMBL2440200 0.73 PIK3CA (0.62) PIK3CAMTORPIK3R1PARP1BRAF
SCHEMBL6522275 0.72 PIK3CD (0.64) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL21876102 0.72 CKS1B (0.49) CKS1BSKP1SKP2
SCHEMBL1309474 0.72 PIK3CA (0.73) PIK3CAMTORPIK3R1HTTPIK3CD

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 HRH4 4003/4885CKS1B 402/4885SKP1 693/4885

“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.