Sugi Predict

Sugi Predict / Compounds / SCHEMBL209154

SCHEMBL209154

SCHEMBL209154

CN(C(=O)CN1CCNCC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.61
▸ AURKA O14965 1/20 0.47
▸ POLQ O75417 3/20 0.46
▸ CACNA2D1 P54289 1/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ CACNB1 Q02641 1/20 0.45
▸ CACNA1C Q13936 1/20 0.45
▸ SIGMAR1 Q99720 3/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ NUAK1 O60285 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ MELK Q14680 1/20 0.43
▸ CAMKK2 Q96RR4 1/20 0.43

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
SCHEMBL18851564 0.85 DRD4 (0.46) DRD4AURKASIGMAR1ALDH1A1CHEK1
SCHEMBL3577293 0.84 DRD4 (0.64) DRD4AURKAPOLQCACNA2D1CACNA1B
SCHEMBL654170 0.83 DRD4 (0.63) DRD4AURKAPOLQCACNA2D1CACNA1B
SCHEMBL10282320 0.83 DRD4 (0.67) DRD4AURKAPOLQCACNA2D1CACNA1B
SCHEMBL12359040 0.83 DRD4 (0.67) DRD4AURKAPOLQCACNA2D1CACNA1B
SCHEMBL4558670 0.82 ALDH1A1 (0.50) DRD4CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4559554 0.82 DRD4 (0.43) DRD4CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL7434249 0.82 DRD4 (0.61) DRD4AURKAPOLQCACNA2D1CACNA1B
SCHEMBL7288792 0.79 ADRB1 (0.45) DRD4SIGMAR1ALDH1A1LMNA
SCHEMBL4039571 0.79 KMT2A (0.64) SIGMAR1KMT2AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2923734-B1 PURINE ANALOGUES AND THEIR USE AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2018-01-10 — — EP disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 — — US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 — — US disclosed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 — — EP disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 — — US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 — — US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 — — US disclosed
EP-2923734-A1 Purine analogues and their use as immunosuppressive agents Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2015-09-30 — — EP disclosed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 — — EP disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 — — US disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 — — US disclosed
EP-1187847-B1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-03 — — EP disclosed
WO-2003087071-A1 SULFONAMIDE DERIVATIVES CELLTECH R & D LIMITED (GB) 2003-10-23 — — WO disclosed
US-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. 2003-08-07 — — US disclosed
US-6569854-B1 Virginamycins AVENTIS PHARMA S.A. (FR) 2003-05-27 — — US disclosed
EP-1187847-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2002-03-20 — — EP disclosed
WO-2001002427-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2001-01-11 — — WO disclosed
US-4940705-A VIRICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-07-10 — — US disclosed
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 — — US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 — — EP 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-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 DRD4 432/4885AURKA 2899/4885POLQ 4405/4885
US-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 DRD4 92/4885AURKA 1337/4885POLQ 1572/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 DRD4 616/4885AURKA 4121/4885POLQ 2902/4885
US-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them MRPL21, ABHD5, APEH DRD4 3424/4885AURKA 3557/4885POLQ 1589/4885

“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.