SCHEMBL9897773

SCHEMBL9897773

COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)CO)CC4)c(C)[nH]c23)cc1F.COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)[C@H](C)O)CC4)c(C)[nH]c23)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
EPHX2 P34913 2/20 0.33
KDM5A P29375 1/20 0.33
TBK1 Q9UHD2 7/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCHR1 Q99705 1/20 0.32
EGFR P00533 1/20 0.31
EHMT2 Q96KQ7 1/20 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
SCHEMBL9897870 0.96 EPHX2 (0.35) EPHX2KDM5ATBK1LMNAPOLB
SCHEMBL9895503 0.95 CCNT1 (0.37) CCNT1CDK9EPHX2KDM5ATBK1
SCHEMBL9897392 0.93 EPHX2 (0.35) EPHX2KDM5ATBK1LMNAPOLB
SCHEMBL1439190 0.92 KDM5A (0.39) EPHX2KDM5ATBK1LMNAPOLB
SCHEMBL9896332 0.92 CCNT1 (0.37) CCNT1CDK9EPHX2KDM5ATBK1
SCHEMBL1438609 0.91 KDM5A (0.36) CCNT1CDK9KDM5ATBK1LMNA
SCHEMBL9898431 0.90 BTK (0.34) CCNT1CDK9EPHX2KDM5ALMNA
SCHEMBL9898649 0.90 EPHX2 (0.38) EPHX2KDM5ALMNAPOLBMAPK1
SCHEMBL1438909 0.90 KDM5A (0.39) EPHX2KDM5ATBK1LMNAPOLB
SCHEMBL1439230 0.88 KDM5A (0.36) CCNT1CDK9KDM5ATBK1LMNA

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 CCNT1 1073/4885CDK9 641/4885EPHX2 1093/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CCNT1 1056/4885CDK9 808/4885EPHX2 1013/4885

“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.