SCHEMBL986296

SCHEMBL986296

COc1ccc(-c2ncnc3c(C(=O)N[C@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)c[nH]c23)c(OCC2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.48
PBK Q96KB5 1/20 0.38
HTR4 Q13639 2/20 0.38
ACACB O00763 2/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PRKDC P78527 1/20 0.35
CRHR1 P34998 1/20 0.35
CRHR2 Q13324 1/20 0.35
AURKA O14965 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
PDE2A O00408 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGDS O60760 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL984573 1.00 BTK (0.48) BTKPBKHTR4ACACBPIK3CA
SCHEMBL984572 1.00 BTK (0.48) BTKPBKHTR4ACACBPIK3CA
SCHEMBL984135 0.94 BTK (0.48) BTKPBKHTR4ACACBPIK3CA
SCHEMBL983805 0.94 BTK (0.48) BTKPBKHTR4ACACBPIK3CA
SCHEMBL983807 0.94 BTK (0.48) BTKPBKHTR4ACACBPIK3CA
SCHEMBL983497 0.92 BTK (0.48) BTKPBKHTR4PIK3CAMTOR
SCHEMBL983499 0.92 BTK (0.48) BTKPBKHTR4PIK3CAMTOR
SCHEMBL984673 0.92 BTK (0.48) BTKPBKHTR4PIK3CAMTOR
SCHEMBL985408 0.91 BTK (0.40) BTKPBKACACBCRHR1
SCHEMBL983677 0.91 BTK (0.40) BTKPBKACACBCRHR1

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 4836/4885HTR4 1818/4885

“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.