SCHEMBL982941

SCHEMBL982941

COCC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4cc(C(C)=O)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPK14 Q16539 1/20 0.34
TBK1 Q9UHD2 2/20 0.33
SLC6A9 P48067 1/20 0.33
RIPK2 O43353 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
PAK1 Q13153 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
JAK3 P52333 1/20 0.32

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
SCHEMBL981754 0.92 MCHR1 (0.37) BTKL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL985561 0.91 BTK (0.42) BTKL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL981954 0.91 BTK (0.40) BTKKMT2A
SCHEMBL983552 0.91 BTK (0.40) BTKMCHR1TBK1KMT2APAK1
SCHEMBL983742 0.89 MCHR1 (0.35) L3MBTL1ALDH1A1LMNAHPGDMCHR1
SCHEMBL983530 0.87 BTK (0.40) BTKKMT2A
SCHEMBL9899102 0.86 L3MBTL1 (0.34) BTKL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL983581 0.86 BTK (0.40) BTKMCHR1TBK1KMT2APOLB
SCHEMBL984895 0.86 BTK (0.39) BTKMCHR1KMT2AMAPT
SCHEMBL984230 0.86 BTK (0.39) BTKMCHR1KMT2AMAPT

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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
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 1977/4885L3MBTL1 4346/4885ALDH1A1 924/4885

“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.