SCHEMBL1793296

SCHEMBL1793296

Cc1ccc(Cl)cc1N1CCN(c2ncnc3[nH]nc(/C(=C/C(=O)O)C(C)(C)C)c23)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.55
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.39
AKT1 P31749 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL1793298 0.82 RPS6KB1 (0.54) RPS6KB1MAPTTP53LMNAUSP2
SCHEMBL1790912 0.81 RPS6KB1 (0.57) RPS6KB1MAPTTP53LMNAUSP2
SCHEMBL1790919 0.81 RPS6KB1 (0.57) RPS6KB1MAPTTP53LMNAUSP2
Trifluoroacetic Acid SCHEMBL4928998 0.81 RPS6KB1 (0.55) RPS6KB1MAPTTP53LMNAUSP2
Trifluoroacetic Acid SCHEMBL4928985 0.81 RPS6KB1 (0.55) RPS6KB1MAPTTP53LMNAUSP2
Trifluoroacetic Acid SCHEMBL4921822 0.79 RPS6KB1 (0.57) RPS6KB1MAPTTP53LMNAUSP2
SCHEMBL1790835 0.79 RPS6KB1 (0.70) RPS6KB1MAPTTP53LMNAALDH1A1
SCHEMBL1793293 0.78 RPS6KB1 (0.55) RPS6KB1MAPTTP53LMNATHRB
Trifluoroacetic Acid SCHEMBL4921592 0.78 RPS6KB1 (0.55) RPS6KB1MAPTTP53LMNAUSP2
SCHEMBL4922731 0.78 RPS6KB1 (0.57) RPS6KB1MAPTTP53LMNAUSP2

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-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 US disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 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 (3 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-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K RPS6KB1 444/4885MAPT 3399/4885TP53 1/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K RPS6KB1 329/4885MAPT 4242/4885TP53 1/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS RPS6KB1 700/4885MAPT 3423/4885TP53 69/4885

“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.