SCHEMBL9898808

SCHEMBL9898808

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.38
RET P07949 4/20 0.36
CCNT1 O60563 6/20 0.35
CDK9 P50750 6/20 0.35
CNR1 P21554 1/20 0.35
BRD4 O60885 1/20 0.34
PIK3CD O00329 3/20 0.34
MGLL Q99685 3/20 0.34
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
SCHEMBL9898805 1.00 RBP4 (0.38) RBP4RETCCNT1CDK9CNR1
SCHEMBL9894912 0.95 CCNT1 (0.38) RBP4RETCCNT1CDK9CNR1
SCHEMBL9894910 0.95 CCNT1 (0.38) RBP4RETCCNT1CDK9CNR1
SCHEMBL9896244 0.95 RBP4 (0.36) RBP4RETCCNT1CDK9CNR1
SCHEMBL9896243 0.95 RBP4 (0.36) RBP4RETCCNT1CDK9CNR1
SCHEMBL9897575 0.94 RBP4 (0.38) RBP4RETCCNT1CDK9CNR1
SCHEMBL9897574 0.94 RBP4 (0.38) RBP4RETCCNT1CDK9CNR1
SCHEMBL9895874 0.94 CDK9 (0.38) RBP4RETCCNT1CDK9CNR1
SCHEMBL10002341 0.94 RBP4 (0.36) RBP4RETCCNT1CDK9CNR1
SCHEMBL9895872 0.94 CDK9 (0.38) RBP4RETCCNT1CDK9CNR1

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 RBP4 3017/4885RET 1743/4885CCNT1 1073/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A RBP4 2168/4885RET 1782/4885CCNT1 1056/4885

“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.