SCHEMBL9899280

SCHEMBL9899280

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

nearest known ligand 0.33

Predicted protein targets (top 16)

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
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
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
PIK3CD O00329 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
SCHEMBL9899281 1.00 CCNT1 (0.33) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL9896366 0.97 CCNT1 (0.33) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL1441923 0.97 CCNT1 (0.33) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL1440466 0.95 CNR1 (0.31) CCNT1CDK9CNR1FFAR4
SCHEMBL9897157 0.95 CNR1 (0.31) CCNT1CDK9CNR1FFAR4
SCHEMBL1438651 0.95 PIK3CD (0.34) CCNT1CDK9FFAR4HTR2AHTR2C
SCHEMBL1438652 0.95 PIK3CD (0.34) CCNT1CDK9FFAR4HTR2AHTR2C
SCHEMBL9897662 0.95 CDK4 (0.37) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL9897661 0.95 CDK4 (0.37) CCNT1CDK9CDK4CCND1CCND3
SCHEMBL9897222 0.93 ERBB2 (0.32) 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.