SCHEMBL10240066

SCHEMBL10240066

Nc1c[nH]nc1-c1nc2cc(CN3CCCCC3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
MAP3K8 P41279 1/20 0.40
CHEK1 O14757 4/20 0.39
CDK7 P50613 3/20 0.39
PARP1 P09874 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.38
ILK Q13418 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL546253 0.89 FGFR1 (0.45) FGFR1FLT1CHEK1CDK7PARP1
SCHEMBL30060858 0.89 FGFR1 (0.54) FGFR1FLT1PARP1HDAC6ILK
SCHEMBL28498762 0.89 FGFR1 (0.54) FGFR1FLT1PARP1HDAC6ILK
SCHEMBL10240067 0.83 L3MBTL1 (0.44) FGFR1FLT1MAP3K8CHEK1CDK7
SCHEMBL12027128 0.81 PKM (0.38) FGFR1FLT1ALDH1A1KDM4EHPGD
SCHEMBL6283876 0.81 NT5E (0.35) FGFR1FLT1CHEK1ALDH1A1KDM4E
SCHEMBL28500906 0.81 FGFR1 (0.44) FGFR1FLT1ALDH1A1HTT
SCHEMBL30059163 0.81 FGFR1 (0.44) FGFR1FLT1ALDH1A1HTT
SCHEMBL10280194 0.81 FGFR1 (0.54) FGFR1FLT1CHEK1HDAC6KDM4E
SCHEMBL13375019 0.80 CBFB (0.43) CHEK1PARP1ALDH1A1KDM4EHPGD

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 FGFR1 106/4885FLT1 324/4885MAP3K8 165/4885
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA FGFR1 1912/4885FLT1 2137/4885MAP3K8 121/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA FGFR1 1912/4885FLT1 2137/4885MAP3K8 121/4885

“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.