SCHEMBL983426

SCHEMBL983426

CCOC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4ccc(OC)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
HPGD P15428 8/20 0.44
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 6/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
USP2 O75604 3/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALOX15 P16050 2/20 0.43
POLB P06746 1/20 0.43
PABPC1 P11940 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
EIF4H Q15056 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42

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
SCHEMBL984581 0.94 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL984587 0.92 HPGDS (0.44) ALDH1A1MAPT
SCHEMBL982023 0.91 ALDH1A1 (0.41) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL984353 0.91 TBK1 (0.41) ALDH1A1KMT2A
SCHEMBL985879 0.91 MTNR1B (0.40)
SCHEMBL984299 0.90 BTK (0.39) KDM4E
SCHEMBL985664 0.90 BTK (0.39) KDM4E
SCHEMBL984301 0.90 BTK (0.39) KDM4E
SCHEMBL983581 0.90 BTK (0.40) KMT2AMEN1POLB
SCHEMBL985429 0.89 PAK1 (0.38) MAPTKMT2AMEN1

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 ALDH1A1 924/4885HPGD 206/4885KDM4E 1035/4885

“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.