SCHEMBL9896533

SCHEMBL9896533

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 17/20 0.35
BRD4 O60885 1/20 0.34
TBK1 Q9UHD2 2/20 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
SCHEMBL9896530 1.00 RIPK1 (0.35) RIPK1BRD4TBK1
SCHEMBL9897885 1.00 RIPK1 (0.35) RIPK1BRD4TBK1
SCHEMBL9897888 1.00 RIPK1 (0.35) RIPK1BRD4TBK1
SCHEMBL9897045 0.95 TBK1 (0.35) BRD4TBK1
SCHEMBL9897044 0.95 TBK1 (0.35) BRD4TBK1
SCHEMBL9898787 0.95 TBK1 (0.35) BRD4TBK1
SCHEMBL9898784 0.95 TBK1 (0.35) BRD4TBK1
SCHEMBL9897283 0.94 RIPK1 (0.35) RIPK1TBK1
SCHEMBL9897285 0.94 RIPK1 (0.35) RIPK1TBK1
SCHEMBL9897024 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 4145/4885BRD4 575/4885TBK1 3747/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A RIPK1 3080/4885BRD4 435/4885TBK1 3270/4885

“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.