SCHEMBL987097

SCHEMBL987097

CCOC(=O)N[C@H]1CC[C@H](NC(=O)c2c[nH]c3c(-c4ccccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
JAK2 O60674 3/20 0.38
JAK3 P52333 3/20 0.38
BTK Q06187 4/20 0.38
CSNK2A2 P19784 2/20 0.37
CSNK2A1 P68400 2/20 0.37
DRD2 P14416 2/20 0.37
KMT2A Q03164 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
USP2 O75604 1/20 0.35
HTR7 P34969 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 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
SCHEMBL987096 1.00 CNR1 (0.38) CNR1CNR2JAK2JAK3BTK
SCHEMBL984058 0.91 CSNK2A2 (0.38) CNR1CNR2JAK2JAK3CSNK2A2
SCHEMBL984060 0.91 CSNK2A2 (0.38) CNR1CNR2JAK2JAK3CSNK2A2
SCHEMBL985602 0.91 CSNK2A2 (0.38) CNR1CNR2JAK2JAK3CSNK2A2
SCHEMBL986034 0.90 CSNK2A2 (0.38) CNR1CNR2JAK2JAK3BTK
SCHEMBL986033 0.90 CSNK2A2 (0.38) CNR1CNR2JAK2JAK3BTK
SCHEMBL982008 0.90 BTK (0.40) BTKKMT2AADORA2AADORA1TAS1R3
SCHEMBL986013 0.90 MEN1 (0.46) DRD2KMT2A
SCHEMBL984706 0.89 BTK (0.44) CNR1CNR2JAK2JAK3BTK
SCHEMBL984707 0.89 BTK (0.44) CNR1CNR2JAK2JAK3BTK

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 CNR1 2115/4885CNR2 1647/4885JAK2 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.