SCHEMBL4932503

SCHEMBL4932503

Cc1ccc(Cl)cc1N1CCN(c2ncnc3[nH]nc(-c4cccc(C(=O)O)c4)c23)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.54
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
LRRK2 Q5S007 5/20 0.44
STK4 Q13043 5/20 0.42
STK3 Q13188 5/20 0.42
TTR P02766 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
LMNA P02545 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 SCHEMBL4932382 0.99 RPS6KB1 (0.53) RPS6KB1MAPTTP53LRRK2STK4
SCHEMBL1792457 0.88 RPS6KB1 (0.62) RPS6KB1MAPTTP53LRRK2STK4
SCHEMBL2296396 0.88 RPS6KB1 (0.57) RPS6KB1MAPTTP53LRRK2STK4
Hydrochloric Acid SCHEMBL4930237 0.87 RPS6KB1 (0.56) RPS6KB1MAPTTP53LRRK2STK4
SCHEMBL2295685 0.87 RPS6KB1 (0.58) RPS6KB1MAPTTP53LRRK2STK4
Hydrochloric Acid SCHEMBL4932098 0.86 RPS6KB1 (0.57) RPS6KB1MAPTTP53LRRK2STK4
SCHEMBL1792276 0.84 RPS6KB1 (0.56) RPS6KB1MAPTTP53LRRK2STK4
Trifluoroacetic Acid SCHEMBL4929591 0.84 RPS6KB1 (0.50) RPS6KB1MAPTTP53LRRK2STK4
SCHEMBL2299804 0.83 RPS6KB1 (0.60) RPS6KB1MAPTTP53LMNA
SCHEMBL1790039 0.82 RPS6KB1 (0.62) RPS6KB1MAPTTP53STK4STK3

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 7 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

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 13/4885MAPT 4051/4885TP53 740/4885

“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.