SCHEMBL4246878

SCHEMBL4246878

NC(c1ccc(Cl)cc1)C1CCN(c2ncnc3ccsc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 4/20 0.59
GSK3B P49841 2/20 0.59
RPS6KB1 P23443 4/20 0.55
HTR2C P28335 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
ADRB3 P13945 3/20 0.44
STAT3 P40763 2/20 0.42
KIT P10721 2/20 0.42
CNR1 P21554 1/20 0.39
HTT P42858 1/20 0.39
AXL P30530 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL13855893 0.82 HTR2C (0.53) AKT2GSK3BRPS6KB1HTR2CCYP1A2
SCHEMBL12988760 0.78 HTR2C (0.60) HTR2CCYP1A2CYP2D6ADRB2ADRB1
SCHEMBL13855514 0.77 RPS6KB1 (0.60) RPS6KB1HTR2C
SCHEMBL31337089 0.77 HTR2C (0.65) AKT2GSK3BHTR2CADRB2ADRB1
SCHEMBL4193100 0.77 HTR2C (0.65) AKT2GSK3BHTR2CADRB2ADRB1
SCHEMBL3922279 0.75 AKT2 (0.72) AKT2GSK3BRPS6KB1CYP1A2CYP2D6
SCHEMBL4064941 0.75 RPS6KB1 (0.55) RPS6KB1HTR2CADRB2ADRB1ADRB3
SCHEMBL4146895 0.74 AKT2 (1.00) AKT2GSK3BRPS6KB1CYP2D6KIT
SCHEMBL13034670 0.74 HTR2C (0.65) HTR2CADRB2ADRB1ADRB3KIT
SCHEMBL4255375 0.74 HTR2C (0.44) AKT2RPS6KB1HTR2CADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124610-A1 PHARMACEUTICAL COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-05-14 US disclosed
US-20090124610-A1 PHARMACEUTICAL COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-05-14 US disclosed
US-20090124610-A1 PHARMACEUTICAL COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-05-14 US disclosed
WO-2007125320-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO 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-20090124610-A1 PHARMACEUTICAL COMPOUNDS GRK3, GRK4, CDK1 AKT2 43/4885GSK3B 6/4885RPS6KB1 102/4885

“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.