SCHEMBL3580182

SCHEMBL3580182

Cc1nc(-c2n[nH]cc2NC(=O)c2c(F)cccc2F)co1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
HTT P42858 1/20 0.38
NOD2 Q9HC29 1/20 0.38
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL3584925 0.80 NPC1 (0.51) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL13314754 0.80 L3MBTL1 (0.51) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL13314755 0.77 JAK2 (0.44) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL5578113 0.76 MEN1 (0.43) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL3591831 0.76 MEN1 (0.42) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL3585842 0.75 MAPT (0.44) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL13314751 0.75 LMNA (0.48) MEN1KMT2APOLBJAK2JAK1
SCHEMBL13314748 0.75 MEN1 (0.41) MEN1KMT2APOLBRAB9AJAK2
SCHEMBL8299814 0.73 MGAM (0.48) MEN1KMT2AGAARAB9ANPC1
SCHEMBL5578191 0.73 MEN1 (0.40) MEN1KMT2AGAAPOLBRAB9A

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 586/4885GAA 4390/4885

“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.