SCHEMBL13104976

SCHEMBL13104976

C[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(N)cc3)nc2N1C1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.69
▸ TAF1 P21675 2/20 0.69
▸ PLK1 P53350 15/20 0.61
▸ PLK3 Q9H4B4 8/20 0.61
▸ PLK2 Q9NYY3 8/20 0.61
▸ MAPK7 Q13164 2/20 0.61
▸ DYRK1A Q13627 1/20 0.61
▸ BRDT Q58F21 6/20 0.57
▸ STK4 Q13043 1/20 0.55
▸ PIP4K2A P48426 1/20 0.53
▸ PIP4K2B P78356 1/20 0.53

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
SCHEMBL25785687 0.86 PLK1 (0.80) BRD4TAF1PLK1PLK3PLK2
SCHEMBL13104998 0.83 BRD4 (0.72) BRD4TAF1PLK1PLK3PLK2
SCHEMBL4108282 0.78 PLK1 (0.61) BRD4TAF1PLK1PLK3PLK2
SCHEMBL27369587 0.77 PLK1 (0.78) BRD4TAF1PLK1PLK3PLK2
SCHEMBL27369585 0.77 PLK1 (0.75) BRD4TAF1PLK1PLK3PLK2
SCHEMBL25118888 0.77 STK4 (0.79) BRD4TAF1PLK1PLK3PLK2
SCHEMBL2396059 0.77 PLK1 (0.59) BRD4TAF1PLK1PLK3PLK2
SCHEMBL375880 0.77 PLK1 (0.77) BRD4TAF1PLK1PLK3PLK2
SCHEMBL376015 0.77 PLK1 (0.77) BRD4TAF1PLK1PLK3PLK2
SCHEMBL21527106 0.76 PLK1 (0.70) BRD4TAF1PLK1PLK3PLK2

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 18 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-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-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-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-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-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-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-7414053-B2 Dihydropteridione derivatives, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-19 — — 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 (4 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 4130/4885TAF1 4854/4885PLK1 4192/4885
US-20080319193-A1 New dihydropteridione derivatives, process for their manufacture and their use as medicament QDPR, DHPS, DHCR7 BRD4 4130/4885TAF1 4854/4885PLK1 4192/4885
US-20090018333-A1 Dihydropteridione derivatives, process for their manufacture and their use as medicament QDPR, DHPS, DHODH BRD4 4409/4885TAF1 4858/4885PLK1 4325/4885
US-20080319190-A1 Antitumor agents; antiproliferative agents TPD52L2, MKI67, HCCS BRD4 3570/4885TAF1 4708/4885PLK1 1218/4885

“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.

Send feedback