SCHEMBL4931171

SCHEMBL4931171

Cc1c(OCCN2CCCC2)cc(Cl)cc1N1CCN(c2ncnc3c2c(CC(C)C)nn3OC(=O)C(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 12/20 0.51
AKT1 P31749 8/20 0.37
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE2A O00408 1/20 0.33
PDGFRB P09619 4/20 0.33
CSF1R P07333 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
AKT2 P31751 1/20 0.32
RPS6KA3 P51812 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4923512 0.90 RPS6KB1 (0.52) RPS6KB1AKT1LMNAMAPTHPGD
SCHEMBL4923196 0.89 RPS6KB1 (0.54) RPS6KB1AKT1LMNAMAPTHPGD
SCHEMBL4931678 0.85 RPS6KB1 (0.49) RPS6KB1AKT1PDGFRBAKT2RPS6KA3
SCHEMBL4932837 0.84 RPS6KB1 (0.49) RPS6KB1AKT1MAPTSMN1; SMN2PDGFRB
SCHEMBL4927697 0.83 RPS6KB1 (0.47) RPS6KB1AKT1LMNAMAPTHPGD
Trifluoroacetic Acid SCHEMBL4931165 0.81 RPS6KB1 (0.57) RPS6KB1AKT1LMNAMAPTHPGD
SCHEMBL4926404 0.81 RPS6KB1 (0.43) RPS6KB1AKT1MAPTHPGDSMN1; SMN2
SCHEMBL4932132 0.80 RPS6KB1 (0.46) RPS6KB1AKT1AKT2RPS6KA3
SCHEMBL4931225 0.80 RPS6KB1 (0.55) RPS6KB1AKT1MAPTAKT2RPS6KA3
SCHEMBL4930048 0.80 RPS6KB1 (0.43) RPS6KB1AKT1SMN1; SMN2PDGFRBCSF1R

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 2 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 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 6/4885LMNA 2304/4885

“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.