SCHEMBL83675

SCHEMBL83675

O=C(NC1CCNCC1)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.38
CCNA2 P20248 5/20 0.38
CCNA1 P78396 3/20 0.38
CDK1 P06493 3/20 0.38
CDK4 P11802 3/20 0.38
CCNB1 P14635 2/20 0.38
CDK5 Q00535 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
CCND1 P24385 2/20 0.38
CASK O14936 1/20 0.38
CCNT1 O60563 1/20 0.38
CDKL5 O76039 1/20 0.38
CDK14 O94921 1/20 0.38
CCNB2 O95067 1/20 0.38
MAK P20794 1/20 0.38
CDK11B P21127 1/20 0.38
CCNE1 P24864 1/20 0.38
CCND3 P30281 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 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
SCHEMBL83595 0.93 PKM (0.40) CDK2CDK1CCNB1CCNB2CCNE1
SCHEMBL83622 0.86 CHRM4 (0.42) CLK4DYRK1ASLKPKMROCK2
SCHEMBL5014883 0.80 CSF1R (0.36) CDK2CDK1CCNB1CCNB2CCNE1
SCHEMBL82345 0.79 CSF1R (0.39) CDK2CDK1CCNB1CCNB2CCNE1
SCHEMBL79935 0.78 CSF1R (0.39) CDK2CDK1CCNB1CCNB2CCNE1
SCHEMBL80255 0.78 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL5030203 0.77 PKM (0.38) PKMHPGDS
SCHEMBL81783 0.76 CSF1R (0.40) CDK2CDK1CCNB1CDK5CLK4
SCHEMBL83293 0.76 GSK3A (0.38) CDK2CCNE1GSK3AGSK3BROCK2
SCHEMBL5028849 0.76 FLT3 (0.37) CDK2CDK1CCNB1CCNB2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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 (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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD CDK2 109/4885CCNA2 1019/4885CCNA1 1556/4885

“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.