Sugi Predict

Sugi Predict / Compounds / SCHEMBL10240067

SCHEMBL10240067

SCHEMBL10240067

O=[N+]([O-])c1c[nH]nc1-c1nc2cc(CN3CCCCC3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ FGFR1 P11362 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CHEK1 O14757 3/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAP3K8 P41279 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
SCHEMBL28507596 0.90 FGFR1 (0.51) FGFR1FLT1HDAC6
SCHEMBL545872 0.90 SMN1; SMN2 (0.44) L3MBTL1MAPTFGFR1FLT1HDAC6
SCHEMBL30061324 0.90 SMN1; SMN2 (0.44) L3MBTL1MAPTFGFR1FLT1HDAC6
SCHEMBL30059177 0.90 FGFR1 (0.51) FGFR1FLT1HDAC6
SCHEMBL10240066 0.83 FGFR1 (0.41) FGFR1FLT1HDAC6CHEK1CDK7
SCHEMBL13375032 0.82 CBFB (0.40) MAPTTDP1
SCHEMBL13375241 0.80 NPBWR1 (0.37) MAPTTDP1FGFR1
SCHEMBL6276611 0.80 NPBWR1 (0.49) MAPK1NPSR1MAPTTDP1MEN1
SCHEMBL22258930 0.76 WNT1 (0.49) FGFR1HDAC6CHEK1MAP3K8
SCHEMBL28498979 0.76 ATM (0.39) L3MBTL1MAPK1MAPTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778936-B2 Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 — — US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 — — US disclosed
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-07-26 — — US disclosed
US-8110573-B2 Enzyme inhibitors; Cyclin-Dependent Kinases (CDK), Glycogen Synthase Kinases (GSK); -cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea salt for example; anticancer agents ASTEX THERAPEUTICS LIMITED (GB) 2012-02-07 — — US disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 — — US disclosed
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-06-05 — — US 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 (3 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET L3MBTL1 1345/4885MAPK1 390/4885NPSR1 3078/4885
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA L3MBTL1 2376/4885MAPK1 194/4885NPSR1 4053/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA L3MBTL1 2376/4885MAPK1 194/4885NPSR1 4053/4885

“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.