SCHEMBL9898779

SCHEMBL9898779

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
BRD4 O60885 2/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9896486 0.93 BRD4 (0.37) BRD4MAPTKMT2AALDH1A1GAA
SCHEMBL9896634 0.91 CCNT1 (0.41) KDM4CBRD4MAPTKMT2AMEN1
SCHEMBL9898628 0.90 LMNA (0.40) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL9896712 0.89 BRD4 (0.35) KDM2BKDM4CBRD4MAPTKMT2A
SCHEMBL9896054 0.88 PTGER1 (0.40) BRD4MAPTALDH1A1ALOX5L3MBTL1
SCHEMBL9897718 0.88 SLC34A1 (0.38) BRD4MAPTKMT2AALDH1A1GAA
SCHEMBL9105094 0.87 KDM2B (0.43) KDM2BKDM4CMAPTKMT2AALDH1A1
SCHEMBL9896342 0.86 KDM5A (0.40) KDM2BKDM4CBRD4MAPTKMT2A
SCHEMBL9897849 0.85 F2 (0.36) KDM2BKDM4CBRD4MAPTKMT2A
SCHEMBL9896794 0.85 MAPT (0.37) KDM4CBRD4MAPTKMT2AALDH1A1

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 KDM2B 326/4885KDM4C 161/4885BRD4 575/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM2B 325/4885KDM4C 134/4885BRD4 435/4885

“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.