SCHEMBL9898786

SCHEMBL9898786

Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@H]1CCN(C(=O)CO)C[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CCND3 P30281 2/20 0.37
CDK6 Q00534 2/20 0.37
CNR1 P21554 1/20 0.36
RBP4 P02753 1/20 0.36
RET P07949 5/20 0.36
CCNT1 O60563 4/20 0.36
CDK9 P50750 4/20 0.36
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CNR2 P34972 1/20 0.33
TBK1 Q9UHD2 3/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ACKR3 P25106 1/20 0.33

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
SCHEMBL9898788 1.00 CDK4 (0.37) CDK4CCND1CCND3CDK6CNR1
SCHEMBL9894912 0.95 CCNT1 (0.38) CDK4CCND1CCND3CDK6CNR1
SCHEMBL9894910 0.95 CCNT1 (0.38) CDK4CCND1CCND3CDK6CNR1
SCHEMBL9896243 0.95 RBP4 (0.36) CDK4CCND1CCND3CDK6CNR1
SCHEMBL9896244 0.95 RBP4 (0.36) CDK4CCND1CCND3CDK6CNR1
SCHEMBL9897011 0.94 RBP4 (0.37) CDK4CCND1CCND3CDK6CNR1
SCHEMBL9897010 0.94 RBP4 (0.37) CDK4CCND1CCND3CDK6CNR1
SCHEMBL9896944 0.94 CCNT1 (0.36) CDK4CCND1CCND3CDK6CNR1
SCHEMBL9896941 0.94 CCNT1 (0.36) CDK4CCND1CCND3CDK6CNR1
SCHEMBL9897508 0.93 RET (0.36) CDK4CCND1CCND3CDK6CNR1

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.