SCHEMBL4934183

SCHEMBL4934183

Cc1ccc(Cl)cc1N1CCN(c2ncnc3[nH]nc(C=C4C[C@@H]5CN(C(=O)O)C[C@@H]5C4)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.51
MAPT P10636 3/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4934175 1.00 RPS6KB1 (0.51) RPS6KB1MAPTTP53LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4930339 0.95 RPS6KB1 (0.49) RPS6KB1MAPTTP53LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4930335 0.95 RPS6KB1 (0.49) RPS6KB1MAPTTP53LMNASMN1; SMN2
SCHEMBL4930343 0.87 RPS6KB1 (0.47) RPS6KB1MAPTTP53LMNASMN1; SMN2
SCHEMBL1789876 0.87 RPS6KB1 (0.56) RPS6KB1MAPTTP53LMNAALDH1A1
SCHEMBL1789872 0.87 RPS6KB1 (0.56) RPS6KB1MAPTTP53LMNAALDH1A1
Trifluoroacetic Acid SCHEMBL4932722 0.87 RPS6KB1 (0.51) RPS6KB1MAPTTP53LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4932731 0.87 RPS6KB1 (0.51) RPS6KB1MAPTTP53LMNASMN1; SMN2
SCHEMBL1793442 0.83 RPS6KB1 (0.59) RPS6KB1MAPTTP53LMNAALDH1A1
Trifluoroacetic Acid SCHEMBL4922202 0.82 RPS6KB1 (0.53) RPS6KB1MAPTTP53LMNASMN1; SMN2

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.