SCHEMBL9896233

SCHEMBL9896233

COCC(=O)N1CC[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(F)ccc4OCC4CC4)ncnc23)[C@H](F)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.38
NPY5R Q15761 2/20 0.35
BRD4 O60885 1/20 0.35
CCNT1 O60563 8/20 0.35
CDK9 P50750 8/20 0.35
MGLL Q99685 4/20 0.34
TBK1 Q9UHD2 2/20 0.33
JAK2 O60674 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
F10 P00742 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
SCHEMBL9896795 1.00 RBP4 (0.38) RBP4NPY5RBRD4CCNT1CDK9
SCHEMBL9896234 1.00 RBP4 (0.38) RBP4NPY5RBRD4CCNT1CDK9
SCHEMBL16553366 1.00 RBP4 (0.38) RBP4NPY5RBRD4CCNT1CDK9
SCHEMBL9896793 1.00 RBP4 (0.38) RBP4NPY5RBRD4CCNT1CDK9
SCHEMBL9897162 0.95 CCNT1 (0.35) RBP4NPY5RBRD4CCNT1CDK9
SCHEMBL9896925 0.95 CCNT1 (0.38) RBP4BRD4CCNT1CDK9MGLL
SCHEMBL9896923 0.95 CCNT1 (0.38) RBP4BRD4CCNT1CDK9MGLL
SCHEMBL9897542 0.95 CCNT1 (0.35) RBP4NPY5RBRD4CCNT1CDK9
SCHEMBL9895823 0.95 CCNT1 (0.38) RBP4BRD4CCNT1CDK9MGLL
SCHEMBL9897163 0.95 CCNT1 (0.35) RBP4NPY5RBRD4CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RBP4 3017/4885NPY5R 328/4885BRD4 575/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A RBP4 2168/4885NPY5R 965/4885BRD4 435/4885

“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.