SCHEMBL5222562

SCHEMBL5222562

NC(=NO)c1cc(F)cc(-n2ccnc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
ENPP2 Q13822 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CYP3A4 P08684 3/20 0.37
ADH5 P11766 2/20 0.37
BAZ2B Q9UIF8 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
F10 P00742 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP11B1 P15538 2/20 0.35
IDO1 P14902 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTT P42858 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP2A6 P11509 1/20 0.34

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
SCHEMBL5223331 0.78 ADH5 (0.55) MAPTENPP2MKNK1MKNK2CYP3A4
SCHEMBL19212396 0.78 CYP3A4 (0.52) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL5955802 0.74 CYP11B1 (0.40) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL641873 0.72 CES2 (0.44) LMNA
SCHEMBL641872 0.72 CES2 (0.44) LMNA
SCHEMBL5222724 0.70 CYP11B1 (0.47) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL5960041 0.69 CYP11B1 (0.46) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL16673120 0.68 CYP3A4 (0.62) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL12838345 0.67 ENPP2 (0.42) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL5228601 0.67 CYP3A4 (0.41) MAPTLMNAENPP2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106607-A1 New compounds ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-06-03 US claimed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
US-7074809-B2 Compounds ASTRAZENECA AB (SE) 2006-07-11 US disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20040106607-A1 New compounds ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-06-03 US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 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 (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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MAPT 659/4885LMNA 4568/4885ENPP2 454/4885
US-20040106607-A1 New compounds MTX1, MLX, TPX2 MAPT 3024/4885LMNA 704/4885ENPP2 674/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MAPT 659/4885LMNA 4568/4885ENPP2 454/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MAPT 659/4885LMNA 4568/4885ENPP2 454/4885

“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.