SCHEMBL3249258

SCHEMBL3249258

CC(=O)N1CCN(C(=N)N)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
F2 P00734 1/20 0.50
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CD O00329 1/20 0.43
CASP6 P55212 1/20 0.42
GFER P55789 1/20 0.42
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
CHIA Q9BZP6 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
EPHX2 P34913 1/20 0.36
F10 P00742 2/20 0.36
MAPK1 P28482 1/20 0.36

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
Iodide SCHEMBL4160461 0.98 CYP1A2 (0.52) CYP1A2TDP1F2KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL538390 0.98 CYP1A2 (0.52) CYP1A2TDP1F2KDM4ESMN1; SMN2
SCHEMBL7234914 0.81 F2 (0.71) F2CPN1CPB2CHIAMAPK1
SCHEMBL1276509 0.81
SCHEMBL14407779 0.81 CYP1A2 (0.77) CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD
SCHEMBL860793 0.81 CYP1A2 (0.77) CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD
SCHEMBL37407 0.81
SCHEMBL3222967 0.79 CYP1A2 (0.59) CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD
SCHEMBL20614505 0.79 CYP1A2 (0.59) CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD
Acetic Acid SCHEMBL5485844 0.78 F2 (0.68) TDP1F2CPN1CPB2ALDH1A1

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
EP-1581533-A2 NOVEL BENZONAPHTHYRIDINES ALTANA Pharma AG (DE) 2005-10-05 EP claimed
WO-2004018465-A9 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-09-15 WO claimed
WO-2004018465-A2 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-04 WO claimed
WO-2023125707-A1 P38 MAPK/MK2 PATHWAY REGULATOR, COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 上海美悦生物科技发展有限公司 2023-07-06 WO disclosed
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 US disclosed
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 US disclosed
US-8329906-B2 Guanidinyl-substituted hydroxy-6-phenylphenanthridines NYCOMED GMBH (DE) 2012-12-11 US disclosed
US-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
US-20100035913-A1 Novel guanidinyl-substituted hydroxy-6-phenylphenanthridines as effective phosphodiestrase (PDE) 4 inhibitors NYCOMED GMBH (DE) 2010-02-11 US disclosed
US-7585872-B2 Guanidinyl-substituted hydroxy-6-phenylphenanthridines as effective phosphodiesterase (PDE) 4 inhibitors NYCOMED GMBH (DE) 2009-09-08 US disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
US-20070167482-A1 Novel guanidinyl-substituted hydroxy-6-phenylphenanthridines as effective phosphodiesterase (pde) 4 inhibitors ALTANA PHARMA AG (DE) 2007-07-19 US disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed
EP-1581533-A2 NOVEL BENZONAPHTHYRIDINES ALTANA Pharma AG (DE) 2005-10-05 EP disclosed
WO-2004018465-A9 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-09-15 WO disclosed
WO-2004018465-A2 BENZONAPHTHYRIDINES WITH PDE 3/4 INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-04 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-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS P2RX7, P2RX1, P2RX3 CYP1A2 583/4885TDP1 1606/4885F2 4608/4885
US-20070167482-A1 Novel guanidinyl-substituted hydroxy-6-phenylphenanthridines as effective phosphodiesterase (pde) 4 inhibitors PDE4A, PDE3A, PDE4B CYP1A2 483/4885TDP1 48/4885F2 4348/4885
US-20100035913-A1 Novel guanidinyl-substituted hydroxy-6-phenylphenanthridines as effective phosphodiestrase (PDE) 4 inhibitors PDE4A, PDE4B, PDE4C CYP1A2 1387/4885TDP1 27/4885F2 4396/4885

“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.