SCHEMBL13360849

SCHEMBL13360849

COc1cc(N)ccc1Nc1ncc2c(n1)N(CC(C)(C)C)[C@H](C)C(=O)N2C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 15/20 0.49
▸ PLK1 P53350 15/20 0.49
▸ BRDT Q58F21 11/20 0.49
▸ VRK1 Q99986 2/20 0.45
▸ RPS6KA3 P51812 1/20 0.45
▸ PARP1 P09874 2/20 0.45
▸ ALK Q9UM73 1/20 0.45
▸ PLK3 Q9H4B4 1/20 0.44
▸ PLK2 Q9NYY3 1/20 0.44

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
SCHEMBL14101194 0.87 PLK1 (0.50) BRD4PLK1BRDTVRK1RPS6KA3
SCHEMBL12956561 0.87 RPS6KA3 (0.62) BRD4PLK1BRDTVRK1RPS6KA3
SCHEMBL13104998 0.80 BRD4 (0.72) BRD4PLK1BRDTRPS6KA3PARP1
SCHEMBL12956560 0.77 PLK1 (0.69) BRD4PLK1BRDTRPS6KA3ALK
SCHEMBL13104981 0.76 RPS6KA3 (0.49) BRD4PLK1BRDTVRK1RPS6KA3
SCHEMBL13104992 0.75 PLK1 (0.76) BRD4PLK1BRDTRPS6KA3ALK
SCHEMBL862198 0.74 RPS6KA3 (0.62) BRD4PLK1BRDTVRK1RPS6KA3
SCHEMBL21527053 0.74 RPS6KA3 (0.62) BRD4PLK1BRDTVRK1RPS6KA3
SCHEMBL12957059 0.73 BRD4 (0.44) BRD4PLK1BRDT
SCHEMBL862111 0.70 PLK1 (0.77) BRD4PLK1BRDTRPS6KA3PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723517-B2 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 — — US disclosed
US-7700769-B2 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-20 — — US disclosed
US-7700769-B2 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-20 — — US disclosed
US-7547780-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) 2009-06-16 — — US disclosed
US-7547780-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) 2009-06-16 — — US disclosed
US-20090018333-A1 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-15 — — US disclosed
US-20090018333-A1 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-15 — — 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-20080108812-A1 Dihydropteridione Intermediate Compounds GRAUERT MATTHIAS 2008-05-08 — — US disclosed
US-20080108812-A1 Dihydropteridione Intermediate Compounds GRAUERT MATTHIAS 2008-05-08 — — 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 (3 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 BRD4 4130/4885PLK1 4192/4885BRDT 4399/4885
US-20080108812-A1 Dihydropteridione Intermediate Compounds QDPR, DHPS, DHODH BRD4 4385/4885PLK1 4155/4885BRDT 4228/4885
US-20090018333-A1 Dihydropteridione derivatives, process for their manufacture and their use as medicament QDPR, DHPS, DHODH BRD4 4409/4885PLK1 4325/4885BRDT 4519/4885

“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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