SCHEMBL9897542

SCHEMBL9897542

COCC(=O)N1C[C@@H](F)[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(F)ccc4OCC4CC4)ncnc23)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.35
CDK9 P50750 5/20 0.35
RBP4 P02753 2/20 0.34
BRD4 O60885 1/20 0.34
RIPK1 Q13546 10/20 0.34
NPY5R Q15761 2/20 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
SCHEMBL9897541 1.00 CCNT1 (0.35) CCNT1CDK9RBP4BRD4RIPK1
SCHEMBL9897162 1.00 CCNT1 (0.35) CCNT1CDK9RBP4BRD4RIPK1
SCHEMBL9897163 1.00 CCNT1 (0.35) CCNT1CDK9RBP4BRD4RIPK1
SCHEMBL9896795 0.95 RBP4 (0.38) CCNT1CDK9RBP4BRD4NPY5R
SCHEMBL9896233 0.95 RBP4 (0.38) CCNT1CDK9RBP4BRD4NPY5R
SCHEMBL9896234 0.95 RBP4 (0.38) CCNT1CDK9RBP4BRD4NPY5R
SCHEMBL16553366 0.95 RBP4 (0.38) CCNT1CDK9RBP4BRD4NPY5R
SCHEMBL9896793 0.95 RBP4 (0.38) CCNT1CDK9RBP4BRD4NPY5R
SCHEMBL9897449 0.94 CCNT1 (0.38) CCNT1CDK9RBP4BRD4RIPK1
SCHEMBL9897451 0.94 CCNT1 (0.38) CCNT1CDK9RBP4BRD4RIPK1

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 CCNT1 1073/4885CDK9 641/4885RBP4 3017/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CCNT1 1056/4885CDK9 808/4885RBP4 2168/4885

“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.