SCHEMBL4801615

SCHEMBL4801615

CCC1C(=O)N(C)c2cnc(Nc3ccc(N4CCN(CCCN)CC4)cc3OC)nc2N1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 8/20 0.60
▸ BRD4 O60885 7/20 0.60
▸ PTK2 Q05397 3/20 0.57
▸ PDXK O00764 1/20 0.57
▸ WEE1 P30291 1/20 0.57
▸ NEK3 P51956 1/20 0.57
▸ BRDT Q58F21 1/20 0.57
▸ CAMKK2 Q96RR4 1/20 0.57
▸ PLK3 Q9H4B4 1/20 0.57
▸ PLK2 Q9NYY3 1/20 0.57
▸ MAPK7 Q13164 8/20 0.54
▸ LRRK2 Q5S007 7/20 0.54
▸ DCLK1 O15075 6/20 0.54
▸ TNK2 Q07912 2/20 0.51
▸ GAK O14976 1/20 0.51
▸ TNK1 Q13470 1/20 0.51
▸ DCLK2 Q8N568 1/20 0.51
▸ ALK Q9UM73 1/20 0.49

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
SCHEMBL4801607 1.00 PLK1 (0.60) PLK1BRD4PTK2PDXKWEE1
SCHEMBL14180611 0.98 PLK1 (0.60) PLK1BRD4PTK2PDXKWEE1
SCHEMBL4798805 0.91 PLK1 (0.60) PLK1BRD4PTK2PDXKWEE1
SCHEMBL4798796 0.91 PLK1 (0.60) PLK1BRD4PTK2PDXKWEE1
SCHEMBL4796469 0.90 PLK1 (0.62) PLK1BRD4PTK2PDXKWEE1
SCHEMBL4796504 0.90 PLK1 (0.62) PLK1BRD4PTK2PDXKWEE1
SCHEMBL4800835 0.85 PLK1 (0.63) PLK1BRD4PTK2PDXKWEE1
SCHEMBL4800822 0.85 PLK1 (0.63) PLK1BRD4PTK2PDXKWEE1
SCHEMBL12956560 0.82 PLK1 (0.69) PLK1BRD4PTK2PDXKWEE1
SCHEMBL24782035 0.80 PLK1 (0.70) PLK1BRD4PTK2PDXKWEE1

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-7371753-B2 Dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 — — US disclosed
US-20060046990-A1 New dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 — — 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-20060046990-A1 New dihydropteridinones, processes for preparing them and their use as pharmaceutical compositions QDPR, DHPS, CCND2 PLK1 3122/4885BRD4 4057/4885PTK2 4470/4885

“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.

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