SCHEMBL13616299

SCHEMBL13616299

CC1CN(c2ccccc2)c2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)ncc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 2/20 0.46
CDK6 Q00534 2/20 0.46
CCNK O75909 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
SYK P43405 1/20 0.44
ALK Q9UM73 5/20 0.43
WNT3A P56704 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
CTSC P53634 1/20 0.42
PTPN11 Q06124 1/20 0.42
CDK4 P11802 3/20 0.42
CCND1 P24385 2/20 0.42
CCND2 P30279 1/20 0.42

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 0.84 CDK4 (0.51) CCND3CDK6CCNA2CDK2CDK9
SCHEMBL27315749 0.78 WNT3A (0.55) CCND3CDK6CCNKCCNA2CDK2
SCHEMBL4875684 0.77 CDK4 (0.56) CCND3CDK6CCNKCCNA2CDK2
SCHEMBL11977223 0.76 CCND3 (0.53) CCND3CDK6CCNKCCNA2CDK2
SCHEMBL4245296 0.76 SYK (0.55) CCND3CDK6CCNKCCNA2CDK2
SCHEMBL14681895 0.75 CDK4 (0.55) CCND3CDK6CCNA2CDK2CDK9
SCHEMBL4065950 0.74 SYK (0.53) CCND3CDK6CCNKCCNA2CDK2
SCHEMBL4065296 0.74 CDK4 (0.51) CCND3CDK6CCNKCCNA2CDK2
SCHEMBL18608291 0.74 CDK4 (0.48) CCND3CDK6CCNKCCNA2CDK2
SCHEMBL7712932 0.74 MARK3 (0.53) CCND3CDK6CCNA2CDK2CDK9

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 782/4885CDK6 28/4885CCNK 73/4885

“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.