SCHEMBL9897079

SCHEMBL9897079

Cc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CCN(C(=O)[C@H](C)O)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
KDM5A P29375 8/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GUCY1B2 O75343 2/20 0.35
GUCY1A2 P33402 2/20 0.35
GUCY1A1 Q02108 2/20 0.35
GUCY1B1 Q02153 2/20 0.35
TBK1 Q9UHD2 3/20 0.35
RBP4 P02753 1/20 0.34
BRD4 O60885 1/20 0.34
MKNK2 Q9HBH9 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
PGR P06401 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL9898310 0.95 HSD17B10 (0.38) HSD17B10KDM5AMEN1KMT2AGUCY1B2
SCHEMBL16224002 0.92 MEN1 (0.38) HSD17B10KDM5AMEN1KMT2AGUCY1B2
SCHEMBL9898099 0.92 OPRL1 (0.40) HSD17B10KDM5AMEN1KMT2AGUCY1B2
SCHEMBL9896271 0.91 CDK4 (0.36) TBK1RBP4BRD4MKNK2CCNT1
SCHEMBL9898243 0.91 CDK4 (0.36) TBK1RBP4BRD4MKNK2CCNT1
SCHEMBL9897044 0.91 TBK1 (0.35) TBK1RBP4BRD4
SCHEMBL9897045 0.91 TBK1 (0.35) TBK1RBP4BRD4
SCHEMBL9896274 0.91 CDK4 (0.36) TBK1RBP4BRD4MKNK2CCNT1
SCHEMBL9898784 0.91 TBK1 (0.35) TBK1RBP4BRD4
SCHEMBL9898787 0.91 TBK1 (0.35) TBK1RBP4BRD4

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 HSD17B10 1588/4885KDM5A 83/4885MEN1 1982/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A HSD17B10 2453/4885KDM5A 69/4885MEN1 2901/4885

“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.