SCHEMBL984060

SCHEMBL984060

CCOC(=O)N[C@H]1CC[C@H](NC(=O)c2c[nH]c3c(-c4ccc(F)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.38
CSNK2A1 P68400 2/20 0.38
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
CRHR1 P34998 3/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CRHR2 Q13324 2/20 0.34
SSTR5 P35346 1/20 0.34
TTK P33981 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL984058 1.00 CSNK2A2 (0.38) CSNK2A2CSNK2A1JAK2JAK3CRHR1
SCHEMBL985602 1.00 CSNK2A2 (0.38) CSNK2A2CSNK2A1JAK2JAK3CRHR1
SCHEMBL987096 0.91 CNR1 (0.38) CSNK2A2CSNK2A1JAK2JAK3KMT2A
SCHEMBL987097 0.91 CNR1 (0.38) CSNK2A2CSNK2A1JAK2JAK3KMT2A
SCHEMBL984299 0.91 BTK (0.39) CSNK2A2CSNK2A1JAK2JAK3CRHR1
SCHEMBL984301 0.91 BTK (0.39) CSNK2A2CSNK2A1JAK2JAK3CRHR1
SCHEMBL985664 0.91 BTK (0.39) CSNK2A2CSNK2A1JAK2JAK3CRHR1
SCHEMBL986391 0.90 CDK9 (0.41) CRHR1KDM5AKDM4CKMT2AALDH1A1
SCHEMBL985350 0.90 CDK9 (0.41) CRHR1KDM5AKDM4CKMT2AALDH1A1
SCHEMBL983677 0.90 BTK (0.40) JAK2JAK3CRHR1KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
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 CSNK2A2 2177/4885CSNK2A1 2263/4885JAK2 1660/4885

“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.