SCHEMBL9896808

SCHEMBL9896808

CCOc1ccc(C(F)(F)F)cc1-c1ncnc2c(C(=O)NC3CCN(C(=O)CO)CC3)c(C)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.42
EPHX2 P34913 5/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TBK1 Q9UHD2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 2/20 0.36
SMO Q99835 1/20 0.35
MDM2 Q00987 1/20 0.35
SYK P43405 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
GLA P06280 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
PHGDH O43175 1/20 0.35

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
SCHEMBL9896493 0.95 EPHX2 (0.43) SSTR5EPHX2HTTSMN1; SMN2MAPT
SCHEMBL1439043 0.94 PKM (0.42) SSTR5EPHX2HTTSMN1; SMN2MAPT
SCHEMBL9896994 0.94 TBK1 (0.37) SSTR5EPHX2HTTSMN1; SMN2MAPT
SCHEMBL9895952 0.93 SSTR5 (0.41) SSTR5EPHX2HTTSMN1; SMN2MAPT
SCHEMBL1439447 0.93 SSTR5 (0.41) SSTR5EPHX2HTTSMN1; SMN2MAPT
SCHEMBL1440605 0.91 EPHX2 (0.40) SSTR5EPHX2HTTSMN1; SMN2MAPT
SCHEMBL1439468 0.91 EPHX2 (0.40) SSTR5EPHX2HTTSMN1; SMN2MAPT
SCHEMBL9895128 0.90 CCNT1 (0.43) SSTR5HTTSMN1; SMN2MAPTLMNA
SCHEMBL9897132 0.90 MAPT (0.42) SSTR5HTTSMN1; SMN2MAPTLMNA
SCHEMBL9897284 0.88 EPHX2 (0.42) SSTR5EPHX2

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 SSTR5 565/4885EPHX2 1093/4885HTT 4624/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A SSTR5 1216/4885EPHX2 1013/4885HTT 4878/4885

“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.