SCHEMBL4247478

SCHEMBL4247478

NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3ccsc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 18/20 0.59
AKT1 P31749 3/20 0.59
GSK3B P49841 3/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2D6 P10635 1/20 0.59
RPS6KB1 P23443 1/20 0.59
HTR2C P28335 1/20 0.51
ROCK2 O75116 1/20 0.44
KIT P10721 1/20 0.40

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
SCHEMBL4065003 0.81 AKT2 (0.65) AKT2AKT1CYP2C9RPS6KB1ROCK2
SCHEMBL1002812 0.75 AKT2 (0.72) AKT2AKT1GSK3BCYP2C9CYP2D6
SCHEMBL1002126 0.74 AKT2 (1.00) AKT2AKT1GSK3BCYP2C9CYP2D6
SCHEMBL29367023 0.74 AKT2 (1.00) AKT2AKT1GSK3BCYP2C9CYP2D6
SCHEMBL14386234 0.73 AKT2 (0.62) AKT2AKT1GSK3BCYP2C9CYP2D6
SCHEMBL13229909 0.73 AKT1 (0.69) AKT2AKT1
SCHEMBL13855893 0.73 HTR2C (0.53) AKT2AKT1GSK3BCYP2D6RPS6KB1
SCHEMBL2778811 0.72 AKT2 (0.76) AKT2AKT1GSK3BCYP2C9CYP2D6
SCHEMBL13855514 0.72 RPS6KB1 (0.60) RPS6KB1HTR2C
Hydrochloric Acid SCHEMBL2796785 0.72 AKT1 (0.68) AKT2AKT1

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 43/4885AKT1 72/4885GSK3B 6/4885

“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.