SCHEMBL9897010

SCHEMBL9897010

COCC(=O)N1CC[C@H](NC(=O)c2c(C)[nH]c3c(-c4ccc(F)cc4OCC4CC4)ncnc23)[C@@H](O)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.37
CNR1 P21554 1/20 0.35
RET P07949 6/20 0.35
NPY5R Q15761 2/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CDK9 P50750 5/20 0.33
CCNT1 O60563 4/20 0.33
CNR2 P34972 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
ACKR3 P25106 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 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
SCHEMBL9897011 1.00 RBP4 (0.37) RBP4CNR1RETNPY5RKDM5A
SCHEMBL9897575 0.95 RBP4 (0.38) RBP4CNR1RETNPY5RCDK9
SCHEMBL9897574 0.95 RBP4 (0.38) RBP4CNR1RETNPY5RCDK9
SCHEMBL9898788 0.94 CDK4 (0.37) RBP4CNR1RETKDM5AKDM4C
SCHEMBL9898786 0.94 CDK4 (0.37) RBP4CNR1RETKDM5AKDM4C
SCHEMBL9898131 0.94 CNR1 (0.35) RBP4CNR1RETNPY5RKDM5A
SCHEMBL9898133 0.94 CNR1 (0.35) RBP4CNR1RETNPY5RKDM5A
SCHEMBL9896243 0.94 RBP4 (0.36) RBP4CNR1RETKDM5AKDM4C
SCHEMBL9896244 0.94 RBP4 (0.36) RBP4CNR1RETKDM5AKDM4C
SCHEMBL9897508 0.92 RET (0.36) RBP4CNR1RETKDM5AKDM4C

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 3017/4885CNR1 3069/4885RET 1743/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A RBP4 2168/4885CNR1 3001/4885RET 1782/4885

“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.