SCHEMBL4472467

SCHEMBL4472467

CN(C)CCNc1ncnc2[nH]c(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.52
BTK Q06187 3/20 0.49
TBK1 Q9UHD2 2/20 0.49
CDK1 P06493 3/20 0.48
HDAC3 O15379 1/20 0.46
ERBB2 P04626 1/20 0.46
KDR P35968 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALK Q9UM73 1/20 0.46
EGFR P00533 4/20 0.44
CCNC P24863 1/20 0.43

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
SCHEMBL4068055 0.90 RIPK1 (0.55) RIPK1BTKTBK1CDK1HDAC3
SCHEMBL4463465 0.88 RIPK1 (0.53) RIPK1BTKTBK1CDK1HDAC3
SCHEMBL4065929 0.85 RIPK1 (0.60) RIPK1BTKTBK1HDAC3ERBB2
SCHEMBL4467559 0.82 CSF1R (0.55) HDAC3ERBB2KDRHDAC4HDAC1
SCHEMBL4473017 0.82 RIPK1 (0.57) RIPK1BTKTBK1ALKEGFR
SCHEMBL4068131 0.82 RIPK1 (0.57) RIPK1BTKTBK1HDAC3ERBB2
SCHEMBL4063817 0.82 RIPK1 (0.59) RIPK1BTKTBK1ALKEGFR
SCHEMBL13604152 0.81 RIPK1 (0.53) RIPK1BTKTBK1ALKEGFR
SCHEMBL4068059 0.80 RIPK1 (0.55) RIPK1BTKTBK1ALKEGFR
SCHEMBL4467935 0.80 RIPK1 (0.64) RIPK1BTKTBK1ALKKIT

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
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
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 3871/4885BTK 2976/4885TBK1 2979/4885

“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.