SCHEMBL9896098

SCHEMBL9896098

COc1cc(-c2ncnc3c(C(=O)N[C@@H]4CCN(C(=O)[C@H](C)O)C[C@H]4O)c(C)[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.36
CCND1 P24385 10/20 0.36
CCND3 P30281 10/20 0.36
CDK6 Q00534 10/20 0.36
TBK1 Q9UHD2 3/20 0.32
RET P07949 3/20 0.32
PIK3CD O00329 1/20 0.31
KDM5A P29375 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ACKR3 P25106 1/20 0.30

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
SCHEMBL9897630 1.00 CDK4 (0.36) CDK4CCND1CCND3CDK6TBK1
SCHEMBL9898005 0.97 CDK4 (0.36) CDK4CCND1CCND3CDK6TBK1
SCHEMBL9898001 0.97 CDK4 (0.36) CDK4CCND1CCND3CDK6TBK1
SCHEMBL9896138 0.97 CDK4 (0.36) CDK4CCND1CCND3CDK6TBK1
SCHEMBL9896136 0.97 CDK4 (0.36) CDK4CCND1CCND3CDK6TBK1
SCHEMBL9899931 0.95 CDK4 (0.33) CDK4CCND1CCND3CDK6TBK1
SCHEMBL9896714 0.95 CDK4 (0.33) CDK4CCND1CCND3CDK6TBK1
SCHEMBL1438638 0.95 RIPK1 (0.32) CDK4CCND1CCND3CDK6FFAR4
SCHEMBL1438639 0.95 RIPK1 (0.32) CDK4CCND1CCND3CDK6FFAR4
SCHEMBL9898123 0.93 CDK4 (0.37) CDK4CCND1CCND3CDK6TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A CDK4 289/4885CCND1 1137/4885CCND3 784/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CDK4 349/4885CCND1 1156/4885CCND3 844/4885

“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.