SCHEMBL986013

SCHEMBL986013

CCOC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4ccccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 5/20 0.46
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
NOS2 P35228 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
CCR8 P51685 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40

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
SCHEMBL984600 0.91 BTK (0.40) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL984309 0.91 ALDH1A1 (0.43) MEN1KMT2AALDH1A1L3MBTL1HSD17B10
SCHEMBL983123 0.91 PARP1 (0.45) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL987096 0.90 CNR1 (0.38) KMT2ADRD2
SCHEMBL987097 0.90 CNR1 (0.38) KMT2ADRD2
SCHEMBL984790 0.89 PAK1 (0.38) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL983426 0.89 ALDH1A1 (0.44) MEN1KMT2AALDH1A1L3MBTL1HSD17B10
SCHEMBL984581 0.89 ALDH1A1 (0.44) MEN1KMT2AALDH1A1L3MBTL1HSD17B10
SCHEMBL985290 0.88 KDM5A (0.37) KMT2A
SCHEMBL982008 0.86 BTK (0.40) 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 MEN1 2783/4885KMT2A 2975/4885ALDH1A1 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.