SCHEMBL5048632

SCHEMBL5048632

CC1=NN=C(c2ccccc2N)c2cc3c(cc2C1)OCO3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.67
MEN1 O00255 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
MAPT P10636 2/20 0.67
CYP2C9 P11712 2/20 0.67
NFKB1 P19838 2/20 0.67
CYP2C19 P33261 2/20 0.67
KMT2A Q03164 2/20 0.67
HIF1A Q16665 2/20 0.67
ALDH1A1 P00352 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
LMNA P02545 2/20 0.66
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL6429442 0.81 GRIA2 (0.46) GRIA2MEN1CYP1A2CYP3A4CYP2D6
Gyki-52466 SCHEMBL194854 0.81 GRIA2 (1.00) GRIA2MEN1CYP1A2CYP3A4CYP2D6
Gyki-52466 SCHEMBL29357520 0.81 GRIA2 (1.00) GRIA2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL8947387 0.80 GRIA2 (0.58) GRIA2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10887479 0.80 GRIA2 (0.76) GRIA2MEN1CYP1A2CYP3A4CYP2D6
Gyki-52466 SCHEMBL25227675 0.80 LMNA (1.00) GRIA2MEN1CYP1A2CYP3A4CYP2D6
Gyki-52466 SCHEMBL29651319 0.80 LMNA (1.00) GRIA2MEN1CYP1A2CYP3A4CYP2D6
Gyki-52466 SCHEMBL249675 0.80 LMNA (1.00) GRIA2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10886665 0.78 PKM (0.61) GRIA2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL8794443 0.78 ALDH1A1 (0.55) GRIA2MEN1CYP1A2CYP3A4CYP2D6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1586321-B1 New use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2008-12-10 EP claimed
US-7247610-B2 Use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI 2007-07-24 US claimed
EP-1586321-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2005-10-19 EP claimed
US-20050054619-A1 Use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2005-03-10 US claimed
EP-1124553-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER Ikonomidou, Hrissanthi (DE) 2001-08-22 EP claimed
EP-1002535-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2000-05-24 EP claimed
WO-2000024395-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER IKONOMIDOU HRISSANTHI (DE) 2000-05-04 WO claimed
US-5834465-A FOR PROTECTING BRAIN AGAINST ACUTE DAMAGE IN STROKE, EPILEPSY, TRAUMA WASHINGTON UNIVERSITY (US) 1998-11-10 US claimed
US-20050182047-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2005-08-18 US disclosed
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders EISAI CO., LTD. (JP) 2005-06-16 US disclosed
US-20040204347-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2004-10-14 US disclosed
US-5925634-A Use of ibogaine for treating neuropathic pain WASHINGTON UNIVERSITY (US) 1999-07-20 US disclosed
US-5834465-A FOR PROTECTING BRAIN AGAINST ACUTE DAMAGE IN STROKE, EPILEPSY, TRAUMA WASHINGTON UNIVERSITY (US) 1998-11-10 US disclosed
US-5767130-A Use of kainic acid antagonists to prevent toxic side effects of NMDA antagonists OLNEY JOHN W (US) 1998-06-16 US disclosed
US-5629307-A Use of ibogaine in reducing excitotoxic brain damage OLNEY JOHN W (US) 1997-05-13 US disclosed
US-5605911-A NEUROTOXIC SIDE EFFECT INHIBITION WASHINGTON UNIVERSITY (US) 1997-02-25 US disclosed
US-4614740-A NERVOUS SYSTEM DISORDERS EGIS GYOGYSZERGYAR (HU) 1986-09-30 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-20040204347-A1 Treatment of demyelinating disorders GRIK4, GRIK5, PMP22 GRIA2 21/4885MEN1 3154/4885CYP1A2 4690/4885
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders GRIK4, GRIK5, GRIK3 GRIA2 22/4885MEN1 4517/4885CYP1A2 3167/4885
US-20050182047-A1 Treatment of demyelinating disorders GRIK4, PMP22, GRIK5 GRIA2 21/4885MEN1 3073/4885CYP1A2 4666/4885

“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.