SCHEMBL13616300

SCHEMBL13616300

CC1CN(C2CCCC2)c2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)ncc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 2/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CCND2 P30279 1/20 0.49
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
CDK2 P24941 2/20 0.47
SYK P43405 3/20 0.44
EGFR P00533 1/20 0.42
CCNK O75909 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42
WNT3A P56704 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
HRH3 Q9Y5N1 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
MAP4K4 O95819 1/20 0.40

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
SCHEMBL13616185 0.83 CDK4 (0.51) CCND3CDK4CCND1CCND2CDK2
SCHEMBL11977219 0.78 CDK4 (0.63) CCND3CDK4CCND1CCND2DDB1
SCHEMBL4067722 0.77 SYK (0.58) CCND3CDK4CCND1CCND2DDB1
SCHEMBL4246566 0.77 DDB1 (0.53) CCND3CDK4CCND1CCND2DDB1
SCHEMBL6390792 0.76 CDK4 (0.63) CCND3CDK4CCND1CCND2CDK2
SCHEMBL5748552 0.76 CDK2 (0.59) CCND3CDK4CCND1CCND2DDB1
SCHEMBL13616301 0.76 CDK4 (0.62) CCND3CDK4CCND1CCND2CDK2
SCHEMBL11976974 0.73 RPS6KA6 (0.59) CCND3CDK4CCND1CCND2CDK2
SCHEMBL10206149 0.73 CCND3 (0.51) CCND3CDK4CCND1CCND2DDB1
SCHEMBL13616297 0.72 SYK (0.52) CCND3CDK4CCND1CCND2CDK2

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

“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.