SCHEMBL5890976

SCHEMBL5890976

Cc1cccc(-c2nn3c(NC4CCCC4)cc(Cl)cc3c2-c2ccnc(NC3CC3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.46
EIF2AK2 P19525 2/20 0.46
KDR P35968 2/20 0.42
GSK3B P49841 2/20 0.41
CDK2 P24941 4/20 0.41
CCNA2 P20248 3/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCND1 P24385 2/20 0.41
CCNA1 P78396 2/20 0.41
IKBKB O14920 1/20 0.41
MAPK10 P53779 3/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK8 P45983 4/20 0.39
MAPK9 P45984 3/20 0.39
ADORA1 P30542 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK3 P27361 1/20 0.38
MAPK1 P28482 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
SCHEMBL5890422 1.00 CDK4 (0.46) CDK4EIF2AK2KDRGSK3BCDK2
SCHEMBL5890797 0.99 EIF2AK2 (0.47) CDK4EIF2AK2KDRGSK3BCDK2
SCHEMBL5890757 0.91 ADORA1 (0.48) CDK4EIF2AK2KDRGSK3BCDK2
SCHEMBL6107098 0.90 CDK4 (0.50) CDK4EIF2AK2KDRGSK3BCDK2
SCHEMBL6106143 0.87 CDK4 (0.48) CDK4EIF2AK2KDRGSK3BCDK2
SCHEMBL6106109 0.86 ADORA1 (0.48) CDK4EIF2AK2KDRGSK3BCDK2
SCHEMBL6106728 0.86 ADORA1 (0.48) CDK4EIF2AK2KDRGSK3BCDK2
SCHEMBL5890714 0.85 EIF2AK2 (0.44) CDK4EIF2AK2GSK3BIKBKBMAPK10
SCHEMBL5890640 0.85 CSNK1D (0.49) CDK4EIF2AK2GSK3BIKBKBMAPK10
SCHEMBL5890654 0.85 EIF2AK2 (0.44) CDK4EIF2AK2GSK3BIKBKBMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962914-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-11-08 US claimed
EP-1385847-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP claimed
US-20040142941-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2004-07-22 US claimed
US-7030134-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-18 US disclosed
US-6962914-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-11-08 US disclosed
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds GUDMUNDSSON KRISTJAN (US) 2005-09-01 US disclosed
EP-1385847-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP disclosed
US-20040142941-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2004-07-22 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 (2 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-20040142941-A1 Therapeutic compounds PCSK9, ABCB1, ABCB11 CDK4 2345/4885EIF2AK2 3551/4885KDR 3852/4885
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds DPYD, TYMP, P2RY4 CDK4 115/4885EIF2AK2 1588/4885KDR 2040/4885

“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.