SCHEMBL9896002

SCHEMBL9896002

CCOC(=O)c1c(C)[nH]c2c(-c3ccc(OC)cc3OCC3CC3)ncnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
HPGD P15428 3/20 0.39
IDE P14735 1/20 0.39
HIF1A Q16665 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 4/20 0.38
TDP1 Q9NUW8 2/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL9898628 0.93 LMNA (0.40) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL9896342 0.89 KDM5A (0.40) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL9101829 0.88 MAPT (0.38) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL983134 0.85 JAK3 (0.46) KDM4EALDH1A1HPGDJAK2JAK3
SCHEMBL9897594 0.85 LMNA (0.38) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL9101753 0.85 LMNA (0.38) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL9896151 0.85 GRIN1 (0.38) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL9897220 0.85 GRIN1 (0.38) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL9896147 0.85 GRIN1 (0.38) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL9898779 0.84 KDM2B (0.41) MAPTALDH1A1LMNAHPGDKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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 (2 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A KDM4E 271/4885MAPT 4595/4885ALDH1A1 863/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM4E 227/4885MAPT 4854/4885ALDH1A1 776/4885

“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.