SCHEMBL9897655

SCHEMBL9897655

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RBP4 P02753 2/20 0.37
BRD4 O60885 1/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR7 P34969 1/20 0.36
CCNT1 O60563 4/20 0.35
CDK9 P50750 4/20 0.35
MGLL Q99685 3/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GALR2 O43603 1/20 0.34
MAPT P10636 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
SCHEMBL16224002 0.95 MEN1 (0.38) MEN1KMT2AHSD17B10RBP4BRD4
SCHEMBL9896101 0.95 HSD17B10 (0.40) MEN1KMT2AHSD17B10RBP4GRIN1
SCHEMBL9897963 0.93 MEN1 (0.40) MEN1KMT2AHSD17B10RBP4BRD4
SCHEMBL9897677 0.93 MEN1 (0.48) MEN1KMT2AHSD17B10LMNAPOLB
SCHEMBL9895269 0.93 HSD17B10 (0.43) MEN1KMT2AHSD17B10GRIN1GRIN2B
SCHEMBL9897502 0.92 KDM2B (0.39) MEN1KMT2AHSD17B10RBP4BRD4
SCHEMBL16224048 0.92 POLB (0.39) MEN1KMT2AHSD17B10BRD4LMNA
SCHEMBL9896203 0.91 GRIN1 (0.39) MEN1KMT2AHSD17B10RBP4BRD4
SCHEMBL9897659 0.91 GRIN1 (0.39) MEN1KMT2AHSD17B10RBP4BRD4
SCHEMBL9896198 0.91 GRIN1 (0.39) MEN1KMT2AHSD17B10RBP4BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
CN-102574861-A Methylpyrrolopyrimidinecarboxamides NYCOMED GMBH 2012-07-11 CN 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
CN-102574861-A Methylpyrrolopyrimidinecarboxamides NYCOMED GMBH 2012-07-11 CN 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 MEN1 1982/4885KMT2A 1329/4885HSD17B10 1588/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A MEN1 2901/4885KMT2A 1454/4885HSD17B10 2453/4885

“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.