SCHEMBL4064941

SCHEMBL4064941

N#CC(c1ccc(Cl)cc1)N1CCN(c2ncnc3ccsc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 11/20 0.55
HTR2C P28335 1/20 0.50
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KIT P10721 2/20 0.43
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
AXL P30530 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NR2F2 P24468 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 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
SCHEMBL13855893 0.83 HTR2C (0.53) RPS6KB1HTR2CKITADRB2ADRB1
SCHEMBL13855514 0.80 RPS6KB1 (0.60) RPS6KB1HTR2C
Formic Acid SCHEMBL4255370 0.76 RPS6KB1 (0.54) RPS6KB1HTR2CKIT
SCHEMBL4255375 0.75 HTR2C (0.44) RPS6KB1HTR2CKITADRB2ADRB1
SCHEMBL4246878 0.75 AKT2 (0.59) RPS6KB1HTR2CCNR1KITADRB2
SCHEMBL14787674 0.71 RPS6KB1 (1.00) RPS6KB1
SCHEMBL28050474 0.70 HTR2C (0.60) HTR2CCNR2ALDH1A1KITADRB2
SCHEMBL1601717 0.69 HTR2C (0.70) HTR2CKITADRB2ADRB1ADRB3
SCHEMBL28057522 0.69 HTR2C (0.70) HTR2CKITADRB2ADRB1ADRB3
SCHEMBL12789863 0.68 HTR2C (0.65) HTR2CKITADRB2ADRB1ADRB3

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 5 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
EP-2013206-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-01-14 EP disclosed
WO-2007125320-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO 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 RPS6KB1 102/4885HTR2C 686/4885CNR1 913/4885

“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.