SCHEMBL9898628

SCHEMBL9898628

CCOC(=O)c1c(C)[nH]c2c(-c3cc(OC)ccc3OCC3CC3)ncnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPT P10636 5/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
HIF1A Q16665 2/20 0.39
IDE P14735 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 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 3/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9896002 0.93 KDM4E (0.39) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL9898779 0.90 KDM2B (0.41) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL9896486 0.90 BRD4 (0.37) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9896634 0.88 CCNT1 (0.41) LMNAMAPTKDM4EHPGDKMT2A
SCHEMBL9107121 0.88 LMNA (0.40) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL9896712 0.87 BRD4 (0.35) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9896054 0.86 PTGER1 (0.40) MAPTKDM4EALDH1A1L3MBTL1F2
SCHEMBL9897718 0.86 SLC34A1 (0.38) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL9101753 0.85 LMNA (0.38) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL9897594 0.85 LMNA (0.38) LMNAMAPTKDM4EALDH1A1HPGD

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 LMNA 3627/4885MAPT 4595/4885KDM4E 271/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A LMNA 3477/4885MAPT 4854/4885KDM4E 227/4885

“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.