SCHEMBL9897200

SCHEMBL9897200

CCC(=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 9)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.38
BRD4 O60885 1/20 0.36
MGLL Q99685 7/20 0.35
PIK3CD O00329 3/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
CCNT1 O60563 4/20 0.33
CDK9 P50750 4/20 0.33
TTR P02766 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
SCHEMBL9897198 1.00 RBP4 (0.38) RBP4BRD4MGLLPIK3CDGRIN1
SCHEMBL16224262 1.00 RBP4 (0.38) RBP4BRD4MGLLPIK3CDGRIN1
SCHEMBL9897341 1.00 RBP4 (0.38) RBP4BRD4MGLLPIK3CDGRIN1
SCHEMBL9897344 1.00 RBP4 (0.38) RBP4BRD4MGLLPIK3CDGRIN1
SCHEMBL9895822 0.95 CCNT1 (0.38) RBP4BRD4MGLLGRIN1GRIN2B
SCHEMBL9896923 0.95 CCNT1 (0.38) RBP4BRD4MGLLGRIN1GRIN2B
SCHEMBL9895823 0.95 CCNT1 (0.38) RBP4BRD4MGLLGRIN1GRIN2B
SCHEMBL9896925 0.95 CCNT1 (0.38) RBP4BRD4MGLLGRIN1GRIN2B
SCHEMBL9897435 0.94 RBP4 (0.35) RBP4BRD4GRIN1GRIN2BCCNT1
SCHEMBL9896724 0.94 RBP4 (0.35) RBP4BRD4GRIN1GRIN2BCCNT1

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 3017/4885BRD4 575/4885MGLL 2285/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A RBP4 2168/4885BRD4 435/4885MGLL 2642/4885

“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.