SCHEMBL6523142

SCHEMBL6523142

O=C(CCl)N1CCN(c2nc(-c3ccncc3)nc(-c3cccc(CO)c3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.45
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
MGLL Q99685 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRAF P15056 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MTOR P42345 5/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CG P48736 2/20 0.39
GBA1 P04062 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL907946 0.88 PIK3CA (0.46) CKS1BSKP1SKP2MGLLMTOR
SCHEMBL908961 0.86 PIK3CA (0.51) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL909712 0.78 HRH4 (0.48) CKS1BSKP1SKP2HTTBRAF
SCHEMBL910047 0.76 PIK3CA (0.49) CKS1BSKP1SKP2HTTTSHR
SCHEMBL910184 0.75 PIK3CA (0.47) BRAFMTORPIK3CAPIK3CDPIK3CG
SCHEMBL908530 0.73 PIK3CA (0.62) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL6522275 0.72 PIK3CD (0.64) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL6523437 0.71 PIK3CB (0.57) PIK3CAPIK3CDPIK3CG
SCHEMBL12789901 0.71 PIK3CA (0.49) PIK3CAPIK3CDPIK3CG
SCHEMBL21876102 0.70 CKS1B (0.49) CKS1BSKP1SKP2LMNAMAPT

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 2 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
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 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-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY PIK3CA, PIK3R5, PIK3CD PRKCI 500/4885CKS1B 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.