SCHEMBL9896778

SCHEMBL9896778

COc1cc(OCC2CC2)c(-c2nc(C)nc3c(C(=O)NC4CCN(C(C)=O)CC4)c(C)[nH]c23)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.36
CDK9 P50750 3/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CCNT1 O60563 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALK Q9UM73 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SIK1 P57059 1/20 0.34
SIK2 Q9H0K1 1/20 0.34
SIK3 Q9Y2K2 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
SCHEMBL9897924 0.97 HPGDS (0.36) HPGDSCDK9CASP3CASP7LMNA
SCHEMBL1440192 0.94 FFAR4 (0.36) LMNAPOLBMAPK1L3MBTL1FFAR4
SCHEMBL9896764 0.92 EPHX2 (0.35) LMNAPOLBMAPK1L3MBTL1FFAR4
SCHEMBL9896392 0.91 FFAR4 (0.36) LMNAPOLBMAPK1L3MBTL1FFAR4
SCHEMBL9899877 0.91 SCN9A (0.39) LMNAPOLBMAPK1L3MBTL1MAPT
SCHEMBL9898251 0.91 EPHX2 (0.38) LMNAPOLBMAPK1L3MBTL1FFAR4
SCHEMBL9896395 0.91 CDK9 (0.36) HPGDSCDK9CASP3CASP7LMNA
SCHEMBL9897842 0.90 CCNT1 (0.37) CDK9LMNAPOLBMAPK1L3MBTL1
SCHEMBL1441956 0.89 MAPK1 (0.34) CDK9LMNAPOLBMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL1438831 0.89 KDM1A (0.38) HPGDSFFAR4ALKJAK1JAK3

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 HPGDS 1143/4885CDK9 641/4885CASP3 1037/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A HPGDS 982/4885CDK9 808/4885CASP3 1007/4885

“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.