SCHEMBL2299800

SCHEMBL2299800

CCc1n[nH]c2ncnc(N3CCN(c4cc(Cl)cc(OCCN(CC)CC)c4)CC3)c12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 14/20 0.50
AKT1 P31749 4/20 0.38
AKT2 P31751 2/20 0.38
RPS6KA3 P51812 2/20 0.38
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1791011 0.87 RPS6KB1 (0.44) RPS6KB1MAPTLMNASMN1; SMN2HPGD
SCHEMBL1791626 0.86 RPS6KB1 (0.41) RPS6KB1AKT1AKT2RPS6KA3MAPT
SCHEMBL1789746 0.82 RPS6KB1 (0.73) RPS6KB1AKT1AKT2RPS6KA3
Hydrochloric Acid SCHEMBL4930581 0.82 RPS6KB1 (0.72) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL1791524 0.79 RPS6KB1 (0.58) RPS6KB1MAPTLMNASMN1; SMN2TP53
SCHEMBL1792087 0.78 RPS6KB1 (0.67) RPS6KB1AKT1AKT2RPS6KA3
Hydrochloric Acid SCHEMBL4932121 0.78 RPS6KB1 (0.66) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL1790280 0.77 RPS6KB1 (0.54) RPS6KB1AKT1AKT2RPS6KA3MAPT
SCHEMBL2298502 0.76 RPS6KB1 (0.42) RPS6KB1AKT1MAPTLMNASMN1; SMN2
SCHEMBL1791177 0.76 RPS6KB1 (0.55) RPS6KB1MAPTLMNASMN1; SMN2TP53

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 10 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
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 EP disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 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-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.