SCHEMBL984309

SCHEMBL984309

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD17B10 Q99714 5/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KDM4E B2RXH2 4/20 0.41
TSHR P16473 1/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL981807 0.92 MDM4 (0.38) ALDH1A1KMT2AMEN1L3MBTL1HSD17B10
SCHEMBL984581 0.92 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1L3MBTL1HSD17B10
SCHEMBL985264 0.92 MAPT (0.43) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL981263 0.91 MDM4 (0.37) ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL986013 0.91 MEN1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1HSD17B10
SCHEMBL986033 0.90 CSNK2A2 (0.38) HPGDLMNA
SCHEMBL986034 0.90 CSNK2A2 (0.38) HPGDLMNA
SCHEMBL983643 0.90 MDM4 (0.36) ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL985561 0.90 BTK (0.42) ALDH1A1KMT2AMEN1L3MBTL1HPGD
SCHEMBL984520 0.89 MDM4 (0.37) ALDH1A1KMT2AMEN1L3MBTL1HSD17B10

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 924/4885KMT2A 2975/4885MEN1 2783/4885

“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.