SCHEMBL9897283

SCHEMBL9897283

Cc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)N[C@H]4CN(C(=O)[C@H](C)O)C[C@H]4F)c(C)[nH]c23)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 15/20 0.35
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
TBK1 Q9UHD2 4/20 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
SCHEMBL9897028 1.00 RIPK1 (0.35) RIPK1KDM2BKDM4CTBK1
SCHEMBL9897024 1.00 RIPK1 (0.35) RIPK1KDM2BKDM4CTBK1
SCHEMBL9897285 1.00 RIPK1 (0.35) RIPK1KDM2BKDM4CTBK1
SCHEMBL9896221 0.94 TBK1 (0.35) KDM2BKDM4CTBK1
SCHEMBL9896219 0.94 TBK1 (0.35) KDM2BKDM4CTBK1
SCHEMBL9897905 0.94 TBK1 (0.35) KDM2BKDM4CTBK1
SCHEMBL9897902 0.94 TBK1 (0.35) KDM2BKDM4CTBK1
SCHEMBL9896530 0.94 RIPK1 (0.35) RIPK1TBK1
SCHEMBL9896533 0.94 RIPK1 (0.35) RIPK1TBK1
SCHEMBL9897888 0.94 RIPK1 (0.35) RIPK1TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RIPK1 4145/4885KDM2B 326/4885KDM4C 161/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A RIPK1 3080/4885KDM2B 325/4885KDM4C 134/4885

“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.