SCHEMBL9895448

SCHEMBL9895448

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK9 P50750 4/20 0.41
CCNT1 O60563 3/20 0.41
LMNA P02545 4/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SSTR5 P35346 3/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
OPRL1 P41146 1/20 0.39
GLA P06280 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL9895269 0.94 HSD17B10 (0.43) HSD17B10GRIN1GRIN2BMEN1KMT2A
SCHEMBL9897424 0.93 HSD17B10 (0.42) HSD17B10GRIN1GRIN2BMEN1KMT2A
SCHEMBL9895128 0.92 CCNT1 (0.43) HSD17B10GRIN1GRIN2BMEN1KMT2A
SCHEMBL1439121 0.91 HSD17B10 (0.41) HSD17B10GRIN1GRIN2BMEN1KMT2A
SCHEMBL9898992 0.91 HSD17B10 (0.41) HSD17B10GRIN1GRIN2BMEN1KMT2A
SCHEMBL1441305 0.91 HSD17B10 (0.41) HSD17B10GRIN1GRIN2BMEN1KMT2A
SCHEMBL9896388 0.90 HSD17B10 (0.44) HSD17B10GRIN1GRIN2BMEN1KMT2A
SCHEMBL1439447 0.90 SSTR5 (0.41) HSD17B10LMNAPOLBMAPK1L3MBTL1
SCHEMBL9898099 0.89 OPRL1 (0.40) HSD17B10GRIN1GRIN2BMEN1KMT2A
SCHEMBL9897453 0.89 GRIN1 (0.43) HSD17B10GRIN1GRIN2BMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP 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 HSD17B10 1588/4885GRIN1 2957/4885GRIN2B 2922/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A HSD17B10 2453/4885GRIN1 4046/4885GRIN2B 4241/4885

“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.