SCHEMBL984707

SCHEMBL984707

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.44
PBK Q96KB5 1/20 0.40
DRD2 P14416 2/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
JAK1 P23458 2/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL984706 1.00 BTK (0.44) BTKPBKDRD2CKS1BSKP1
SCHEMBL983676 0.91 BTK (0.40) BTKPBKJAK1JAK2TYK2
SCHEMBL985408 0.91 BTK (0.40) BTKPBKJAK1JAK2TYK2
SCHEMBL983677 0.91 BTK (0.40) BTKPBKJAK1JAK2TYK2
SCHEMBL983631 0.91 BTK (0.39) BTKPBKJAK1JAK2TYK2
SCHEMBL983632 0.91 BTK (0.39) BTKPBKJAK1JAK2TYK2
SCHEMBL985439 0.90 BTK (0.41) BTKPBKDRD2CNR2JAK1
SCHEMBL985440 0.90 BTK (0.41) BTKPBKDRD2CNR2JAK1
SCHEMBL987097 0.89 CNR1 (0.38) BTKDRD2CNR1CNR2JAK2
SCHEMBL987096 0.89 CNR1 (0.38) BTKDRD2CNR1CNR2JAK2

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-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 BTK 1977/4885PBK 4836/4885DRD2 1765/4885

“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.