SCHEMBL5578320

SCHEMBL5578320

Cc1nc(-c2nn(C3CCCCO3)cc2NC(=O)c2c(F)cccc2F)[nH]c1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.37
CCNA2 P20248 5/20 0.35
CDK2 P24941 5/20 0.35
PTGES O14684 4/20 0.35
CDK1 P06493 3/20 0.35
CCNB1 P14635 3/20 0.35
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
DDR2 Q16832 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5578323 0.82 MAPK14 (0.37) ABL1CCNA2CDK2PTGESCDK1
SCHEMBL5578327 0.80 ABL1 (0.39) ABL1CCNA2CDK2PTGESCDK1
SCHEMBL14511713 0.80 CCNA2 (0.38) ABL1CCNA2CDK2PTGESFGFR1
SCHEMBL5578211 0.79 ABL1 (0.34) ABL1CCNA2CDK2PTGESCDK1
SCHEMBL5578213 0.79 CCNA2 (0.34) ABL1CCNA2CDK2PTGESCDK1
SCHEMBL5578062 0.79 ABL1 (0.36) ABL1CCNA2CDK2PTGESCDK1
SCHEMBL8299912 0.78 CDK2 (0.34) ABL1CCNA2CDK2PTGESCDK1
SCHEMBL5819657 0.78 ABL1 (0.37) ABL1FGFR1DDR2BRAFRORC
SCHEMBL5578221 0.78 BRAF (0.33) ABL1CCNA2CDK2PTGESCDK1
SCHEMBL1645164 0.77 ATR (0.38) ABL1CCNA2CDK2CDK1CCNB1

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-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 ABL1 511/4885CCNA2 37/4885CDK2 5/4885

“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.