SCHEMBL983631

SCHEMBL983631

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2c[nH]c3c(-c4cc(F)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.39
PBK Q96KB5 1/20 0.38
BRD4 O60885 2/20 0.37
KAT8 Q9H7Z6 1/20 0.36
PLK1 P53350 1/20 0.36
ACACB O00763 1/20 0.36
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
JAK1 P23458 2/20 0.34
CRHR1 P34998 1/20 0.34
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 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
SCHEMBL983632 1.00 BTK (0.39) BTKPBKBRD4KAT8PLK1
SCHEMBL983677 0.95 BTK (0.40) BTKPBKBRD4KAT8PLK1
SCHEMBL983676 0.95 BTK (0.40) BTKPBKBRD4KAT8PLK1
SCHEMBL985408 0.95 BTK (0.40) BTKPBKBRD4KAT8PLK1
SCHEMBL985440 0.92 BTK (0.41) BTKPBKACACBJAK1JAK2
SCHEMBL985439 0.92 BTK (0.41) BTKPBKACACBJAK1JAK2
SCHEMBL984706 0.91 BTK (0.44) BTKPBKJAK1JAK2TYK2
SCHEMBL984707 0.91 BTK (0.44) BTKPBKJAK1JAK2TYK2
SCHEMBL983807 0.90 BTK (0.48) BTKPBKACACBALDH1A1
SCHEMBL984135 0.90 BTK (0.48) BTKPBKACACBALDH1A1

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 4836/4885BRD4 1299/4885

“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.