SCHEMBL5118616

SCHEMBL5118616

Nc1ncc(-c2ccccc2)cc1-c1nc2ccc(F)cc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.77
CDK2 P24941 2/20 0.77
MKNK1 Q9BUB5 2/20 0.77
MKNK2 Q9HBH9 2/20 0.77
PDPK1 O15530 1/20 0.77
CYP11B1 P15538 1/20 0.54
METAP2 P50579 2/20 0.52
METAP1 P53582 2/20 0.52
CBFB Q13951 1/20 0.52
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
Hydrochloric Acid SCHEMBL5119587 0.99 CDK1 (0.75) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL5119801 0.92 CDK1 (0.64) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL5117922 0.87 CDK1 (1.00) CDK1CDK2MKNK1MKNK2PDPK1
Hydrochloric Acid SCHEMBL5116173 0.86 CDK1 (0.97) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL5110951 0.83 CDK1 (0.70) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL5118649 0.82 CDK1 (0.69) CDK1CDK2MKNK1MKNK2PDPK1
Hydrochloric Acid SCHEMBL5111336 0.82 CDK1 (0.69) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL5955099 0.82 CDK1 (0.64) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680389 0.82 CDK1 (0.52) CDK1CDK2MKNK1MKNK2PDPK1
Hydrochloric Acid SCHEMBL5111021 0.82 CDK1 (0.67) CDK1CDK2MKNK1MKNK2PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329678-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-12 US claimed
EP-1590339-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP claimed
JP-2006516626-A 2006-07-06 JP claimed
US-20060148854-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US claimed
EP-1590339-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-11-02 EP claimed
WO-2004069160-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-19 WO claimed
US-7329678-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-12 US disclosed
US-7329678-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-12 US disclosed
US-7329678-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-12 US disclosed
EP-1590339-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
US-20060148854-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US disclosed
EP-1590339-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-11-02 EP disclosed
WO-2004069160-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-19 WO disclosed
WO-2004069160-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-19 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-20060148854-A1 Chemical compounds SGK1, SGK2, SGK3 CDK1 356/4885CDK2 667/4885MKNK1 66/4885

“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.