SCHEMBL9896366

SCHEMBL9896366

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.33
CDK9 P50750 7/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
RIPK1 Q13546 3/20 0.31
CNR1 P21554 2/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TBK1 Q9UHD2 1/20 0.30
CNR2 P34972 1/20 0.30
PIK3CD O00329 1/20 0.30
SCN9A Q15858 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
SCHEMBL1441923 1.00 CCNT1 (0.33) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL9899281 0.97 CCNT1 (0.33) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL9899280 0.97 CCNT1 (0.33) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL1439576 0.95 RIPK1 (0.31) CCNT1CDK9RIPK1CNR1FFAR4
SCHEMBL1439577 0.95 RIPK1 (0.31) CCNT1CDK9RIPK1CNR1FFAR4
SCHEMBL1438599 0.95 PIK3CD (0.34) CCNT1CDK9RIPK1FFAR4PIK3CD
SCHEMBL1438597 0.95 PIK3CD (0.34) CCNT1CDK9RIPK1FFAR4PIK3CD
SCHEMBL9896668 0.95 CCNT1 (0.34) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL1440105 0.95 CDK4 (0.37) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL16552518 0.95 CDK4 (0.37) CCNT1CDK9CDK4CCND1CCND3

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 CCNT1 1073/4885CDK9 641/4885CDK4 289/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CCNT1 1056/4885CDK9 808/4885CDK4 349/4885

“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.