SCHEMBL981455

SCHEMBL981455

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.39
HTR4 Q13639 2/20 0.38
CSNK2A2 P19784 2/20 0.38
CSNK2A1 P68400 2/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
CRHR1 P34998 2/20 0.36
CRHR2 Q13324 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA2 P47869 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
PTK2 Q05397 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
SCHEMBL983840 1.00 BTK (0.39) BTKHTR4CSNK2A2CSNK2A1JAK2
SCHEMBL981456 1.00 BTK (0.39) BTKHTR4CSNK2A2CSNK2A1JAK2
SCHEMBL984301 0.94 BTK (0.39) BTKHTR4CSNK2A2CSNK2A1JAK2
SCHEMBL984299 0.94 BTK (0.39) BTKHTR4CSNK2A2CSNK2A1JAK2
SCHEMBL985664 0.94 BTK (0.39) BTKHTR4CSNK2A2CSNK2A1JAK2
SCHEMBL986034 0.92 CSNK2A2 (0.38) BTKCSNK2A2CSNK2A1JAK2JAK3
SCHEMBL986033 0.92 CSNK2A2 (0.38) BTKCSNK2A2CSNK2A1JAK2JAK3
SCHEMBL982719 0.91 HTR4 (0.40) BTKHTR4CRHR1CRHR2GABRG2
SCHEMBL986109 0.91 HTR4 (0.40) BTKHTR4CRHR1CRHR2GABRG2
SCHEMBL984581 0.90 ALDH1A1 (0.44) KMT2A

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 BTK 1977/4885HTR4 1818/4885CSNK2A2 2177/4885

“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.