SCHEMBL13616301

SCHEMBL13616301

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CC4)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.62
CCND1 P24385 7/20 0.62
CCND3 P30281 5/20 0.62
CCND2 P30279 4/20 0.62
CDK2 P24941 4/20 0.54
CCNA2 P20248 3/20 0.54
CDK9 P50750 2/20 0.54
CDK6 Q00534 2/20 0.54
CCNK O75909 1/20 0.54
SYK P43405 3/20 0.53
EGFR P00533 1/20 0.51
MAPT P10636 2/20 0.49
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCNT1 O60563 1/20 0.46
CCNE1 P24864 3/20 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
SCHEMBL14681895 0.90 CDK4 (0.55) CDK4CCND1CCND3CCND2CDK2
SCHEMBL5868589 0.87 CDK4 (0.59) CDK4CCND1CCND3CCND2CDK2
SCHEMBL13616064 0.84 CDK4 (0.61) CDK4CCND1CCND3CCND2CDK2
SCHEMBL7713038 0.81 CCND3 (0.61) CDK4CCND1CCND3CCND2CDK2
SCHEMBL13616280 0.81 ALK (0.56) CDK4CCND1CCND3CCND2CDK2
SCHEMBL11976969 0.80 CDK4 (0.68) CDK4CCND1CCND3CCND2CDK2
SCHEMBL12639344 0.80 CDK4 (0.69) CDK4CCND1CCND3CCND2CDK2
SCHEMBL1355734 0.80 CDK4 (0.69) CDK4CCND1CCND3CCND2CDK2
SCHEMBL7170319 0.80 CDK4 (0.52) CDK4CCND1CCND3CCND2CDK2
SCHEMBL5868586 0.80 CDK4 (0.58) CDK4CCND1CCND3CCND2CDK2

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 CDK4 4/4885CCND1 615/4885CCND3 782/4885

“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.