SCHEMBL3583397

SCHEMBL3583397

COC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
JAK2 O60674 3/20 0.39
TYK2 P29597 3/20 0.39
PTGES O14684 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8273357 0.89 CCNA2 (0.39) POLBMEN1KMT2AABL1MAPT
SCHEMBL4287690 0.85 HTT (0.46) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL4287669 0.85 IRAK4 (0.44) IRAK4
SCHEMBL13314727 0.85 TAS1R3 (0.39) POLBMEN1KMT2ATAS1R3TAS1R1
SCHEMBL4285703 0.85 MAPT (0.43) POLBMAPTIRAK4RAB9A
SCHEMBL3587966 0.84 TYK2 (0.40) POLBMEN1KMT2ATAS1R3TAS1R1
SCHEMBL30134079 0.82 CNR2 (0.38) MEN1KMT2AALDH1A1ABL1KDM4E
SCHEMBL3588629 0.82 JAK2 (0.40) TAS1R3TAS1R1TAS1R2JAK2TYK2
SCHEMBL4279651 0.82 IRAK4 (0.40) IRAK4RAB9A
SCHEMBL5004379 0.81 POLB (0.35) POLBMEN1KMT2ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1836188-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 POLB 460/4885MEN1 1244/4885KMT2A 586/4885

“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.