SCHEMBL984745

SCHEMBL984745

CC(=O)N[C@H]1CC[C@H](NC(=O)c2c[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.39
ADORA2A P29274 2/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MDM4 O15151 1/20 0.34
KDM1A O60341 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
RIPK2 O43353 1/20 0.34

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
SCHEMBL984905 0.93 KDM1A (0.42) BTKADORA2AKDM2BKDM4CADORA1
SCHEMBL984583 0.92 LMNA (0.38) BTKADORA2AKDM2BKDM4CADORA1
SCHEMBL981511 0.92 KDM1A (0.42) ADORA2AKDM2BKDM4CADORA1TAS1R3
SCHEMBL986034 0.91 CSNK2A2 (0.38) BTKADORA2AKDM2BKDM4CADORA1
SCHEMBL986033 0.91 CSNK2A2 (0.38) BTKADORA2AKDM2BKDM4CADORA1
SCHEMBL984446 0.91 BTK (0.40) BTKADORA2AADORA1CYP4F2CYP4A11
SCHEMBL981807 0.90 MDM4 (0.38) BTKKDM2BKDM4CLMNAMDM4
SCHEMBL985299 0.90 BTK (0.37) BTKADORA2AKDM2BKDM4CADORA1
SCHEMBL985060 0.90 HPGD (0.40) BTKADORA2AKDM2BKDM4CADORA1
SCHEMBL982719 0.90 HTR4 (0.40) BTKCYP4F2CYP4A11RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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 (1 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A BTK 1977/4885ADORA2A 1950/4885KDM2B 831/4885

“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.