SCHEMBL9897892

SCHEMBL9897892

Cc1[nH]c2c(-c3cc(C4(C)OCCO4)ccc3OCC3CC3)ncnc2c1C(=O)NC1CCN(C(=O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PAK1 Q13153 1/20 0.32
HSD17B10 Q99714 2/20 0.31
CSF1R P07333 1/20 0.31
BRD4 O60885 2/20 0.31
GUCY1B2 O75343 1/20 0.31
GUCY1A2 P33402 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31
IDH1 O75874 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TBK1 Q9UHD2 2/20 0.31

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
SCHEMBL9896752 0.92 CSF1R (0.33) CSF1RBRD4RIPK2
SCHEMBL9896756 0.92 CSF1R (0.33) CSF1RBRD4RIPK2
SCHEMBL16223983 0.89 CCNC (0.31) MAPT
SCHEMBL9897502 0.88 KDM2B (0.39) LMNAPOLBMAPK1L3MBTL1MEN1
SCHEMBL16224048 0.88 POLB (0.39) LMNAPOLBMAPK1L3MBTL1MEN1
SCHEMBL9897655 0.87 MEN1 (0.40) LMNAPOLBMAPK1L3MBTL1MEN1
SCHEMBL9896055 0.86 KMT2A (0.41) LMNAPOLBMAPK1L3MBTL1MEN1
SCHEMBL1439333 0.86 L3MBTL1 (0.35) LMNAPOLBMAPK1L3MBTL1MEN1
SCHEMBL27861996 0.86 MAPK1 (0.35) LMNAPOLBMAPK1L3MBTL1MEN1
SCHEMBL9898427 0.85 PTGER1 (0.38) LMNAPOLBMAPK1L3MBTL1PAK1

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
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
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 3627/4885POLB 594/4885MAPK1 2358/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A LMNA 3477/4885POLB 1780/4885MAPK1 2415/4885

“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.