SCHEMBL985000

SCHEMBL985000

COc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c[nH]c23)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.41
STS P08842 1/20 0.41
PARP1 P09874 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BTK Q06187 2/20 0.39
MAPT P10636 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
LMNA P02545 2/20 0.38
SLC2A1 P11166 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL982023 0.94 ALDH1A1 (0.41) MEN1KMT2AALDH1A1STSPARP1
SCHEMBL985264 0.91 MAPT (0.43) MEN1KMT2AALDH1A1PARP1L3MBTL1
SCHEMBL984581 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL981788 0.91 BRD4 (0.43) MEN1KMT2AALDH1A1PARP1L3MBTL1
SCHEMBL984887 0.91 HPGDS (0.44) MEN1KMT2A
SCHEMBL983805 0.90 BTK (0.48) ALDH1A1BTK
SCHEMBL984135 0.90 BTK (0.48) ALDH1A1BTK
SCHEMBL983807 0.90 BTK (0.48) ALDH1A1BTK
SCHEMBL981821 0.89 TBK1 (0.41) KMT2A
SCHEMBL981830 0.89 MTNR1B (0.40) KMT2ACRHR2

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-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.