SCHEMBL985440

SCHEMBL985440

Cc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)N[C@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)c[nH]c23)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.41
PBK Q96KB5 1/20 0.39
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
JAK1 P23458 2/20 0.34
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
DRD2 P14416 2/20 0.34
AAK1 Q2M2I8 1/20 0.33
CNR2 P34972 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL985439 1.00 BTK (0.41) BTKPBKKDM2BKDM4CJAK1
SCHEMBL983631 0.92 BTK (0.39) BTKPBKJAK1JAK2TYK2
SCHEMBL983632 0.92 BTK (0.39) BTKPBKJAK1JAK2TYK2
SCHEMBL983807 0.91 BTK (0.48) BTKPBKACACB
SCHEMBL984135 0.91 BTK (0.48) BTKPBKACACB
SCHEMBL983805 0.91 BTK (0.48) BTKPBKACACB
SCHEMBL986033 0.91 CSNK2A2 (0.38) BTKKDM2BKDM4CJAK2JAK3
SCHEMBL986034 0.91 CSNK2A2 (0.38) BTKKDM2BKDM4CJAK2JAK3
SCHEMBL984706 0.90 BTK (0.44) BTKPBKJAK1JAK2TYK2
SCHEMBL984707 0.90 BTK (0.44) BTKPBKJAK1JAK2TYK2

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 disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO 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 4836/4885KDM2B 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.