SCHEMBL13616280

SCHEMBL13616280

CC(=O)N1CCN(c2ccc(Nc3ncc4c(n3)N(C3CCC(C)CC3)CC4)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.56
SYK P43405 15/20 0.54
CDK4 P11802 2/20 0.51
CCND1 P24385 2/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
CCND2 P30279 1/20 0.51
CCND3 P30281 1/20 0.51
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50

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
SCHEMBL13616276 0.83 SYK (0.54) ALKSYKCDK4CCND1JAK2
SCHEMBL13616301 0.81 CDK4 (0.62) ALKSYKCDK4CCND1JAK2
SCHEMBL13616064 0.81 CDK4 (0.61) ALKCDK4CCND1JAK2JAK1
SCHEMBL11977053 0.79 CDK4 (0.65) ALKSYKCDK4CCND1JAK2
SCHEMBL13616460 0.76 CDK4 (0.58) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL11977055 0.76 CDK4 (0.60) ALKSYKCDK4CCND1JAK2
SCHEMBL13616275 0.75 ALK (0.54) ALKSYKCDK4CCND1JAK2
SCHEMBL3972021 0.75 CDK4 (0.57) ALKSYKCDK4CCND1JAK2
SCHEMBL1080371 0.73 ALK (0.59) ALKSYKCDK4CCND1JAK2
SCHEMBL1019717 0.73 SYK (0.62) ALKSYKJAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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 (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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP ALK 794/4885SYK 1001/4885CDK4 4/4885

“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.