SCHEMBL9101753

SCHEMBL9101753

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 3/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KLK7 P49862 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRKCZ Q05513 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK1 P28482 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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 0.96 LMNA (0.38) LMNAL3MBTL1F2ALDH1A1GAA
SCHEMBL14250603 0.91 KDM4C (0.38) ALDH1A1GAACCNT1CDK9FFAR4
SCHEMBL9896794 0.89 MAPT (0.37) LMNAL3MBTL1F2ALDH1A1GAA
SCHEMBL9896342 0.86 KDM5A (0.40) LMNAF2ALDH1A1GAACCNT1
SCHEMBL9896634 0.86 CCNT1 (0.41) LMNACCNT1CDK9KDM4EMAPT
SCHEMBL985123 0.85 JAK3 (0.41)
SCHEMBL9897736 0.85 FFAR4 (0.34) CDK9FFAR4HTR2AHTR2CHTR2B
SCHEMBL1440104 0.85 FFAR4 (0.34) CDK9FFAR4HTR2AHTR2CHTR2B
SCHEMBL1440109 0.85 FFAR4 (0.34) CDK9FFAR4HTR2AHTR2CHTR2B
SCHEMBL9898628 0.85 LMNA (0.40) LMNAL3MBTL1F2ALDH1A1GAA

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 7 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-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 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 (3 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-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A LMNA 3122/4885L3MBTL1 2949/4885F2 2130/4885
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A LMNA 3627/4885L3MBTL1 2948/4885F2 1610/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A LMNA 3477/4885L3MBTL1 2097/4885F2 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.