SCHEMBL13855893

SCHEMBL13855893

NC(c1ccc(Cl)cc1)N1CCN(c2ncnc3ccsc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
KIT P10721 2/20 0.45
RPS6KB1 P23443 5/20 0.42
AKT1S1 Q96B36 3/20 0.41
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
AKT2 P31751 2/20 0.39
AKT1 P31749 1/20 0.39
AKT3 Q9Y243 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
GSK3B P49841 1/20 0.38
HTT P42858 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
SCHEMBL13855514 0.85 RPS6KB1 (0.60) HTR2CRPS6KB1AKT1S1
SCHEMBL4064941 0.83 RPS6KB1 (0.55) HTR2CKITRPS6KB1AXLMKNK1
SCHEMBL4246878 0.82 AKT2 (0.59) HTR2CKITRPS6KB1AXLMKNK1
SCHEMBL4255375 0.82 HTR2C (0.44) HTR2CKITRPS6KB1AKT1S1ADRB2
Formic Acid SCHEMBL4255370 0.80 RPS6KB1 (0.54) HTR2CKITRPS6KB1AKT1S1
SCHEMBL13229909 0.75 AKT1 (0.69) AKT1S1AKT2AKT1AKT3
Hydrochloric Acid SCHEMBL2796785 0.74 AKT1 (0.68) AKT1S1AKT2AKT1AKT3
SCHEMBL4247478 0.73 AKT2 (0.59) HTR2CKITRPS6KB1AKT2AKT1
SCHEMBL28050474 0.73 HTR2C (0.60) HTR2CKITAXLMKNK1MKNK2
SCHEMBL28057522 0.71 HTR2C (0.70) HTR2CKITAXLMKNK1MKNK2

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-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 HTR2C 686/4885KIT 1378/4885RPS6KB1 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.