SCHEMBL1793293

SCHEMBL1793293

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.55
MAPT P10636 6/20 0.47
TP53 P04637 3/20 0.46
LMNA P02545 4/20 0.41
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1790919 0.89 RPS6KB1 (0.57) RPS6KB1MAPTTP53LMNATHRB
SCHEMBL1790912 0.89 RPS6KB1 (0.57) RPS6KB1MAPTTP53LMNATHRB
SCHEMBL4928994 0.89 RPS6KB1 (0.52) RPS6KB1MAPTTP53LMNATHRB
Trifluoroacetic Acid SCHEMBL4928985 0.86 RPS6KB1 (0.55) RPS6KB1MAPTTP53LMNATHRB
Trifluoroacetic Acid SCHEMBL4928998 0.86 RPS6KB1 (0.55) RPS6KB1MAPTTP53LMNATHRB
SCHEMBL1793298 0.82 RPS6KB1 (0.54) RPS6KB1MAPTTP53LMNATHRB
Trifluoroacetic Acid SCHEMBL4922202 0.79 RPS6KB1 (0.53) RPS6KB1MAPTTP53LMNATHRB
SCHEMBL1793442 0.78 RPS6KB1 (0.59) RPS6KB1MAPTTP53LMNA
SCHEMBL1793296 0.78 RPS6KB1 (0.55) RPS6KB1MAPTTP53LMNATHRB
Trifluoroacetic Acid SCHEMBL4932722 0.78 RPS6KB1 (0.51) RPS6KB1MAPTTP53LMNATHRB

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.