SCHEMBL559650

SCHEMBL559650

CCN1CCC(Oc2ccc3cnc(NC4CCC(O)CC4)nc3c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 10/20 0.44
CCNH P51946 10/20 0.44
MNAT1 P51948 10/20 0.44
CDK2 P24941 10/20 0.44
CCNA2 P20248 8/20 0.44
CCNK O75909 7/20 0.44
CDK12 Q9NYV4 7/20 0.44
MAPK8 P45983 3/20 0.42
MAPK10 P53779 2/20 0.41
MAPK9 P45984 1/20 0.41
RIPK2 O43353 1/20 0.41
CCNE1 P24864 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
CDK1 P06493 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
SCHEMBL10166353 1.00 CDK7 (0.44) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL559649 1.00 CDK7 (0.44) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL558705 0.87 ROCK1 (0.49) RIPK2ADORA2AADORA2BADORA1
SCHEMBL559592 0.87 ROCK1 (0.49) RIPK2ADORA2AADORA2BADORA1
SCHEMBL558706 0.87 ROCK1 (0.49) RIPK2ADORA2AADORA2BADORA1
SCHEMBL559591 0.87 ROCK1 (0.49) RIPK2ADORA2AADORA2BADORA1
SCHEMBL559278 0.87 MAPK8 (0.46) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL559277 0.87 MAPK8 (0.46) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL559275 0.80 ROCK1 (0.46) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL10166363 0.80 ROCK1 (0.46) CDK7CCNHMNAT1CDK2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK7 660/4885CCNH 2591/4885MNAT1 173/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK7 660/4885CCNH 2591/4885MNAT1 173/4885

“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.