SCHEMBL13616147

SCHEMBL13616147

CC1CN(C2CCCC2)c2nc(Nc3ccc4[nH]c(=O)[nH]c4c3)ncc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
RPS6KA6 Q9UK32 9/20 0.41
BRD4 O60885 2/20 0.39
PLK1 P53350 1/20 0.39
MARK3 P27448 3/20 0.39
MARK4 Q96L34 2/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
CCND2 P30279 2/20 0.39
CCND3 P30281 2/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PARP1 P09874 1/20 0.37
MAPK7 Q13164 1/20 0.37

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
SCHEMBL13616799 0.83 CDC7 (0.50) JAK3AURKAAURKB
SCHEMBL13616150 0.83 ULK1 (0.46) PLK1
SCHEMBL13616167 0.77 CDK2 (0.57) PLK1CCNE1CDK2
SCHEMBL2396085 0.77 PLK1 (0.51) BRD4PLK1MARK3MARK4MAPK7
SCHEMBL13616093 0.76 RPS6KA6 (0.59) RPS6KA6CDK4CCND1CCND2CCND3
SCHEMBL11976974 0.74 RPS6KA6 (0.59) JAK1JAK3RPS6KA6PLK1MARK3
SCHEMBL13616293 0.74 CDK4 (0.60) JAK1JAK3RPS6KA6PLK1MARK3
SCHEMBL13616297 0.74 SYK (0.52) JAK1JAK3RPS6KA6BRD4MARK3
SCHEMBL11977084 0.73 CDK4 (0.49) JAK1JAK3MARK3MARK4CDK4
SCHEMBL13616520 0.70 CDK4 (0.55) JAK1JAK3RPS6KA6BRD4MARK3

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 JAK1 554/4885JAK3 716/4885RPS6KA6 370/4885

“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.