SCHEMBL13104998

SCHEMBL13104998

COc1cc(N)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 18/20 0.72
▸ PLK1 P53350 17/20 0.72
▸ BRDT Q58F21 14/20 0.72
▸ PARP1 P09874 1/20 0.64
▸ TAF1 P21675 2/20 0.61
▸ ALK Q9UM73 3/20 0.60
▸ PLK3 Q9H4B4 4/20 0.59
▸ PLK2 Q9NYY3 2/20 0.59
▸ PRKD3 O94806 3/20 0.58
▸ CLK2 P49760 3/20 0.58
▸ PTK2 Q05397 3/20 0.58
▸ CAMK2G Q13555 3/20 0.58
▸ CAMK2D Q13557 3/20 0.58
▸ PRKD2 Q9BZL6 3/20 0.58
▸ CSNK1G1 Q9HCP0 3/20 0.58
▸ CSNK1G3 Q9Y6M4 3/20 0.58
▸ MAP4K4 O95819 2/20 0.58
▸ PRKCG P05129 2/20 0.58
▸ RPS6KA3 P51812 2/20 0.58
▸ NEK4 P51957 2/20 0.58

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
SCHEMBL13104992 0.89 PLK1 (0.76) BRD4PLK1BRDTTAF1ALK
SCHEMBL862080 0.87 PLK1 (0.85) BRD4PLK1BRDTTAF1ALK
SCHEMBL861777 0.86 PLK1 (0.86) BRD4PLK1BRDTTAF1ALK
SCHEMBL21527108 0.86 BRD4 (0.73) BRD4PLK1BRDTPARP1TAF1
SCHEMBL31098113 0.86 PLK1 (0.86) BRD4PLK1BRDTTAF1ALK
SCHEMBL25787913 0.85 PLK1 (0.85) BRD4PLK1BRDTTAF1ALK
SCHEMBL13104976 0.83 BRD4 (0.69) BRD4PLK1BRDTTAF1PLK3
SCHEMBL13360849 0.80 BRD4 (0.49) BRD4PLK1BRDTPARP1ALK
SCHEMBL3673332 0.80 PLK1 (0.52) BRD4PLK1BRDTALKTTK
SCHEMBL12956561 0.80 RPS6KA3 (0.62) BRD4PLK1BRDTRPS6KA3CSNK1A1

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 28 patents — showing the first 20. 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-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-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-7629460-B2 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-08 — — 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-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-7414053-B2 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-19 — — 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-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-20080113992-A1 Dihydropteridione Intermediate Compounds GRAUERT MATTHIAS 2008-05-15 — — 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
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-20080113992-A1 Dihydropteridione Intermediate Compounds QDPR, DHPS, DHODH BRD4 4385/4885PLK1 4155/4885BRDT 4228/4885
US-20080194818-A1 Antiproliferative agents; polo-like kinase inhibitors CCNK, CDK1, PLK1 BRD4 2309/4885PLK1 3/4885BRDT 1291/4885
US-20080108812-A1 Dihydropteridione Intermediate Compounds QDPR, DHPS, DHODH BRD4 4385/4885PLK1 4155/4885BRDT 4228/4885

“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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