SCHEMBL843514

SCHEMBL843514

CCOC(=O)c1c(N)ncn1Cc1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
UCHL1 P09936 1/20 0.49
TP53 P04637 2/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
GLA P06280 2/20 0.48

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
SCHEMBL2183153 0.89 L3MBTL1 (0.48) ALDH1A1KDM4EGLAGAAMAPK1
SCHEMBL16028248 0.88 SMN1; SMN2 (0.54) ALDH1A1KDM4EGAAMAPK1HPGD
SCHEMBL1753091 0.86 SMN1; SMN2 (0.53) TP53ALDH1A1KDM4EGAAMAPK1
SCHEMBL14611252 0.85 MEN1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13206624 0.85 MEN1 (0.49) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL7987441 0.85 MEN1 (0.49) ALDH1A1GAAKMT2AL3MBTL1MEN1
SCHEMBL12429215 0.83 TP53 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8059093 0.80 HTT (0.54) TP53ALDH1A1KDM4EMAPK1HPGD
SCHEMBL28567653 0.79 LMNA (0.45) TP53ALDH1A1KDM4EGAAMAPK1
SCHEMBL12429208 0.78 TP53 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
WO-2011100838-A1 DERIVATIVES OF 1-PHENYL-1,5-DIHYDRO-BENZO[B] [1.4]DIAZEPINE-2.4-DIONE AS INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO disclosed
EP-1912991-B1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC (US) 2010-11-10 EP disclosed
US-7786301-B2 Process for preparing xanthine phosphodiesterase V inhibitors and precursors thereof SCHERING CORPORATION (US) 2010-08-31 US disclosed
US-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-04-22 US disclosed
US-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-04-22 US disclosed
US-7312223-B2 8-Amino-7-phenylmethyl-1-ethyl-3,7-dihydro-3-(2-hydroxyethyl)-purine-2,6-dione derivatives; urogenital, respiratory system, kidney, cardiovascular, autoimmune or brain disorders; angina pectoris, hypertension, restenosis; anticarcinogenic, hypoglycemic, antiischemic, and hypotensive agents; diabetes SCHERING CORPORATION (US) 2007-12-25 US disclosed
US-7312223-B2 8-Amino-7-phenylmethyl-1-ethyl-3,7-dihydro-3-(2-hydroxyethyl)-purine-2,6-dione derivatives; urogenital, respiratory system, kidney, cardiovascular, autoimmune or brain disorders; angina pectoris, hypertension, restenosis; anticarcinogenic, hypoglycemic, antiischemic, and hypotensive agents; diabetes SCHERING CORPORATION (US) 2007-12-25 US disclosed
US-7192962-B2 Xanthine phosphodiesterase V inhibitor polymorphs SCHERING CORPORATION (US) 2007-03-20 US disclosed
US-7192962-B2 Xanthine phosphodiesterase V inhibitor polymorphs SCHERING CORPORATION (US) 2007-03-20 US disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007017261-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2003101992-A1 PROCESS FOR PREPARING XANTHINE PHOSPHODIESTERASE V INHIBITORS AND PRECURSORS THEREOF SCHERING CORPORATION (US) 2003-12-11 WO disclosed
WO-2003101991-A1 XANTHINE PHOSPHODIESTERASE V INHIBITOR POLYMORPHS SCHERING CORPORATION (US) 2003-12-11 WO 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-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication MED1, ZC3HAV1, BET1 TUBB4A 1480/4885TUBB 966/4885TUBA3C 2394/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH TUBB4A 4650/4885TUBB 4827/4885TUBA3C 4850/4885
US-20100099690-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, HCAR1 TUBB4A 4653/4885TUBB 4831/4885TUBA3C 4850/4885

“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.