SCHEMBL3587804

SCHEMBL3587804

NNC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
HTT P42858 1/20 0.44
NOD2 Q9HC29 1/20 0.44
CDK2 P24941 5/20 0.43
CCNA2 P20248 4/20 0.43
CDK1 P06493 4/20 0.43
CCNB1 P14635 3/20 0.43
CCNA1 P78396 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
CDK14 O94921 1/20 0.40
CCNY Q8ND76 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
DYRK3 O43781 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
SCHEMBL8219373 0.88 MEN1 (0.48) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL955039 0.86 MEN1 (0.49) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL8219739 0.85 MEN1 (0.43) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL3588253 0.84 MEN1 (0.44) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL3587209 0.84 POLB (0.48) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL956928 0.83 CDK1 (0.60) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL8219171 0.83 ADORA2A (0.48) MEN1KMT2AHTTPOLBALDH1A1
SCHEMBL8219173 0.83 HPGD (0.43) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL1647733 0.82 MEN1 (0.39) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL954844 0.82 SMN1; SMN2 (0.51) MEN1KMT2AHTTPOLBLMNA

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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
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
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 MEN1 1244/4885KMT2A 586/4885JAK2 734/4885

“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.