SCHEMBL13104981

SCHEMBL13104981

C=C1[C@@H](C)N(CCC(C)C)c2nc(Nc3ccc(N)cc3OC)ncc2N1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 5/20 0.49
▸ BRD4 O60885 12/20 0.47
▸ VRK1 Q99986 3/20 0.47
▸ VRK2 Q86Y07 2/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ RPS6KA2 Q15349 1/20 0.47
▸ RPS6KA1 Q15418 1/20 0.47
▸ RPS6KA6 Q9UK32 1/20 0.47
▸ PLK1 P53350 11/20 0.46
▸ BRDT Q58F21 6/20 0.45
▸ DCLK1 O15075 3/20 0.40
▸ MAPK7 Q13164 3/20 0.40
▸ LRRK2 Q5S007 3/20 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
SCHEMBL12956561 0.90 RPS6KA3 (0.62) RPS6KA3BRD4VRK1VRK2JAK2
SCHEMBL12957059 0.79 BRD4 (0.44) BRD4PLK1BRDTDCLK1MAPK7
SCHEMBL14101194 0.77 PLK1 (0.50) RPS6KA3BRD4VRK1PLK1BRDT
SCHEMBL21527053 0.77 RPS6KA3 (0.62) RPS6KA3BRD4VRK1VRK2JAK2
SCHEMBL862198 0.77 RPS6KA3 (0.62) RPS6KA3BRD4VRK1VRK2JAK2
SCHEMBL13360849 0.76 BRD4 (0.49) RPS6KA3BRD4VRK1PLK1BRDT
SCHEMBL21527105 0.73 PLK1 (0.59) RPS6KA3BRD4CSNK1A1RPS6KA2RPS6KA1
SCHEMBL12956560 0.73 PLK1 (0.69) RPS6KA3BRD4CSNK1A1RPS6KA2RPS6KA1
SCHEMBL13814858 0.71 RPS6KA3 (0.46) RPS6KA3BRD4VRK1VRK2JAK2
SCHEMBL13104998 0.71 BRD4 (0.72) RPS6KA3BRD4CSNK1A1RPS6KA2RPS6KA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807831-B2 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 — — US disclosed
US-7723517-B2 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 — — US disclosed
US-7629460-B2 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-08 — — US disclosed
US-20080319193-A1 New dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 — — US disclosed
US-20080319192-A1 New dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 — — US disclosed
US-20080319190-A1 Antitumor agents; antiproliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 — — US disclosed
US-7414053-B2 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-19 — — US disclosed
US-20080194818-A1 Antiproliferative agents; polo-like kinase inhibitors GRAUERT MATTHIAS 2008-08-14 — — US disclosed
US-20080113992-A1 Dihydropteridione Intermediate Compounds GRAUERT MATTHIAS 2008-05-15 — — US disclosed
US-7332491-B2 cyclin-dependent and serine/threonine kinases inhibitor; cell cycle arrest in the G2/M phase; antiproliferative and antitumor agent: leukemia, sarcoma, lung, breast, prostate, pancreas cancer; autoimmune diseases: arthritis, Alzheimer's disease BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2008-02-19 — — 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 (5 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-20080319192-A1 New dihydropteridione derivatives, process for their manufacture and their use as medicament QDPR, DHPS, DHCR7 RPS6KA3 246/4885BRD4 4130/4885VRK1 2440/4885
US-20080113992-A1 Dihydropteridione Intermediate Compounds QDPR, DHPS, DHODH RPS6KA3 554/4885BRD4 4385/4885VRK1 4130/4885
US-20080194818-A1 Antiproliferative agents; polo-like kinase inhibitors CCNK, CDK1, PLK1 RPS6KA3 20/4885BRD4 2309/4885VRK1 528/4885
US-20080319193-A1 New dihydropteridione derivatives, process for their manufacture and their use as medicament QDPR, DHPS, DHCR7 RPS6KA3 246/4885BRD4 4130/4885VRK1 2440/4885
US-20080319190-A1 Antitumor agents; antiproliferative agents TPD52L2, MKI67, HCCS RPS6KA3 54/4885BRD4 3570/4885VRK1 4329/4885

“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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