SCHEMBL9898243

SCHEMBL9898243

Cc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)O)C[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
CCND3 P30281 3/20 0.36
CDK6 Q00534 3/20 0.36
RET P07949 5/20 0.35
TBK1 Q9UHD2 5/20 0.34
CNR1 P21554 1/20 0.34
RBP4 P02753 1/20 0.33
BRD4 O60885 1/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
MKNK2 Q9HBH9 1/20 0.32
PGR P06401 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL9898245 1.00 CDK4 (0.36) CDK4CCND1CCND3CDK6RET
SCHEMBL9896274 1.00 CDK4 (0.36) CDK4CCND1CCND3CDK6RET
SCHEMBL9896271 1.00 CDK4 (0.36) CDK4CCND1CCND3CDK6RET
SCHEMBL9898545 0.95 CDK4 (0.36) CDK4CCND1CCND3CDK6RET
SCHEMBL9897881 0.95 CDK4 (0.36) CDK4CCND1CCND3CDK6RET
SCHEMBL9897879 0.95 CDK4 (0.36) CDK4CCND1CCND3CDK6RET
SCHEMBL9898549 0.95 CDK4 (0.36) CDK4CCND1CCND3CDK6RET
SCHEMBL9897044 0.93 TBK1 (0.35) TBK1RBP4BRD4
SCHEMBL9898787 0.93 TBK1 (0.35) TBK1RBP4BRD4
SCHEMBL9898784 0.93 TBK1 (0.35) TBK1RBP4BRD4

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.