SCHEMBL1789993

SCHEMBL1789993

CCc1n[nH]c2ncnc(N3CCN(c4cc(Cl)cc(OCCN5CCCCC5)c4C)CC3)c12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 19/20 0.72
AKT1 P31749 11/20 0.54
AKT2 P31751 2/20 0.43
RPS6KA3 P51812 2/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Hydrochloric Acid SCHEMBL4926127 0.99 RPS6KB1 (0.71) RPS6KB1AKT1AKT2RPS6KA3LMNA
SCHEMBL1791743 0.99 RPS6KB1 (0.73) RPS6KB1AKT1AKT2RPS6KA3LMNA
Hydrochloric Acid SCHEMBL4931461 0.98 RPS6KB1 (0.72) RPS6KB1AKT1AKT2RPS6KA3LMNA
SCHEMBL1791013 0.96 RPS6KB1 (0.66) RPS6KB1AKT1AKT2RPS6KA3
Hydrochloric Acid SCHEMBL4930032 0.95 RPS6KB1 (0.65) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL1790704 0.95 RPS6KB1 (0.67) RPS6KB1AKT1AKT2RPS6KA3
Hydrochloric Acid SCHEMBL4931650 0.94 RPS6KB1 (0.66) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL1791699 0.94 RPS6KB1 (0.66) RPS6KB1AKT1AKT2RPS6KA3LMNA
SCHEMBL1791364 0.94 RPS6KB1 (0.66) RPS6KB1AKT1AKT2RPS6KA3LMNA
Hydrochloric Acid SCHEMBL4922272 0.93 RPS6KB1 (0.65) RPS6KB1AKT1AKT2RPS6KA3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US claimed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US claimed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 EP disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 US disclosed
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 EP 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 (4 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 444/4885AKT1 153/4885AKT2 343/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K RPS6KB1 329/4885AKT1 128/4885AKT2 357/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS RPS6KB1 700/4885AKT1 97/4885AKT2 130/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 RPS6KB1 13/4885AKT1 6/4885AKT2 7/4885

“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.