SCHEMBL4067498

SCHEMBL4067498

CNc1ncnc2[nH]c(-c3ccc(C(=O)N4CCOCC4)cc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.59
TBK1 Q9UHD2 4/20 0.55
MAPKAPK2 P49137 1/20 0.49
BTK Q06187 1/20 0.49
CSF1R P07333 6/20 0.48
JAK2 O60674 2/20 0.47
EGFR P00533 2/20 0.47
LRRK2 Q5S007 1/20 0.46
WDR5 P61964 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4065929 0.88 RIPK1 (0.60) RIPK1TBK1BTKEGFRWDR5
SCHEMBL4062847 0.84 RIPK1 (0.58) RIPK1TBK1MAPKAPK2BTKCSF1R
SCHEMBL4773340 0.82 NPC1 (0.53) RIPK1TBK1BTKCSF1REGFR
SCHEMBL16809667 0.82 TBK1 (0.60) RIPK1TBK1BTKCSF1R
SCHEMBL16793805 0.80 TBK1 (0.60) RIPK1TBK1MAPKAPK2BTKCSF1R
SCHEMBL20150991 0.79 EGFR (0.53) RIPK1TBK1BTKCSF1RJAK2
SCHEMBL4465947 0.79 HDAC3 (0.58) RIPK1CSF1REGFR
SCHEMBL4068131 0.78 RIPK1 (0.57) RIPK1TBK1BTKEGFR
SCHEMBL4473017 0.78 RIPK1 (0.57) RIPK1TBK1BTKCSF1REGFR
SCHEMBL28129363 0.77 TBK1 (0.68) RIPK1TBK1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625894-B2 Pyrrolo[2,3-d]Pyrimidines as Protein Tyrosine Kinase Inhibitors NOVARTIS AG (CH) 2009-12-01 US claimed
EP-1718651-B1 7H-PYRROLOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2009-04-22 EP claimed
US-20070135460-A1 7H-pyrrolopyrimidine derivatives CARAVATTI GIORGIO 2007-06-14 US claimed
EP-1718651-A2 7H-PYRROLOPYRIMIDINE DERIVATIVES Novartis AG (CH) 2006-11-08 EP claimed
WO-2005077951-A2 7H-PYRROLOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2005-08-25 WO claimed
US-7625894-B2 Pyrrolo[2,3-d]Pyrimidines as Protein Tyrosine Kinase Inhibitors NOVARTIS AG (CH) 2009-12-01 US disclosed
EP-1718651-B1 7H-PYRROLOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2009-04-22 EP disclosed
US-20070135460-A1 7H-pyrrolopyrimidine derivatives CARAVATTI GIORGIO 2007-06-14 US disclosed
EP-1718651-A2 7H-PYRROLOPYRIMIDINE DERIVATIVES Novartis AG (CH) 2006-11-08 EP disclosed
WO-2005077951-A2 7H-PYRROLOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2005-08-25 WO 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 (1 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-20070135460-A1 7H-pyrrolopyrimidine derivatives DPYD, TYMP, DHPS RIPK1 3871/4885TBK1 2979/4885MAPKAPK2 1991/4885

“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.