SCHEMBL9896794

SCHEMBL9896794

CCOC(=O)c1c(C)[nH]c2c(-c3cc(C)c(F)cc3OCC3CC3)ncnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
F2 P00734 4/20 0.35
KDM4C Q9H3R0 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX5 P09917 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC34A1 Q06495 1/20 0.33

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
SCHEMBL9897594 0.91 LMNA (0.38) MAPTF2KDM4CALDH1A1LMNA
SCHEMBL9101753 0.89 LMNA (0.38) MAPTF2KDM4CALDH1A1LMNA
SCHEMBL9896342 0.88 KDM5A (0.40) MAPTF2KDM4CALDH1A1LMNA
SCHEMBL9896634 0.87 CCNT1 (0.41) MAPTKDM4CLMNASMN1; SMN2TSHR
SCHEMBL9896486 0.85 BRD4 (0.37) MAPTF2ALDH1A1LMNANPC1
SCHEMBL9898779 0.85 KDM2B (0.41) MAPTTP53F2KDM4CALDH1A1
SCHEMBL9896953 0.85 RIPK2 (0.35) KDM4CTSHRGAASCN9A
SCHEMBL9896430 0.85 RIPK2 (0.35) KDM4CTSHRGAASCN9A
SCHEMBL9896432 0.85 RIPK2 (0.35) KDM4CTSHRGAASCN9A
SCHEMBL9897945 0.84 LRRK2 (0.37) SCN9A

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 MAPT 4595/4885TP53 3647/4885F2 1610/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A MAPT 4854/4885TP53 3678/4885F2 805/4885

“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.