SCHEMBL7167684

SCHEMBL7167684

Nc1nc2ccccc2n1-c1cccc(-n2c(N)nc3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.53
HTT P42858 2/20 0.49
MAPK1 P28482 2/20 0.49
RPS6KB1 P23443 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CXCR4 P61073 1/20 0.47
POLB P06746 1/20 0.45
PRKACA P17612 1/20 0.44
GSK3B P49841 1/20 0.44
ROCK1 Q13464 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TLR8 Q9NR97 2/20 0.42
CXCL8 P10145 2/20 0.42
NOD1 Q9Y239 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL7165172 0.91 NOS2 (0.49) NOS2HTTMAPK1RPS6KB1CYP1A2
SCHEMBL2309144 0.89 MAPK1 (0.61) NOS2HTTMAPK1RPS6KB1CYP1A2
SCHEMBL7295761 0.89 NOS2 (0.46) NOS2HTTMAPK1RPS6KB1CYP1A2
SCHEMBL23652406 0.89 KDM4E (0.55) NOS2HTTMAPK1RPS6KB1CYP1A2
SCHEMBL7307352 0.87 FGFR1 (0.58) HTTROCK1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7300230 0.85 FGFR1 (0.57) HTTROCK1RAB9ASMN1; SMN2KDM4E
SCHEMBL7294873 0.85 NOS2 (0.42) NOS2HTTMAPK1RPS6KB1CYP1A2
SCHEMBL22513570 0.85 GSR (0.57) CYP1A2KMT2ANOD1NPC1RAB9A
SCHEMBL17689831 0.84 NOS2 (0.49) NOS2HTTMAPK1RPS6KB1CYP1A2
SCHEMBL1170717 0.82 NOS2 (0.46) NOS2HTTMAPK1RPS6KB1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US claimed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US claimed
EP-0604353-B1 Benzimidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-07-01 EP claimed
US-5441969-A Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1995-08-15 US claimed
EP-0604353-A1 Benzimidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1994-06-29 EP claimed
US-6569880-B2 Guanidine derivatives NEUROSEARCH A/S (DK) 2003-05-27 US disclosed
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US disclosed
US-6380180-B1 BENZIMIDAZOLE COMPOUNDS FOR TREATMENT OF ASTHMA, VASOSPASM, MEMORY LOSS, MIGRAINE AND OTHERS DISEASES ASSOCIATED WITH POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2002-04-30 US disclosed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US disclosed
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP disclosed
US-6194447-B1 ASTHMA, ANTICONVULSANTS, COGNITION ACTIVATORS, BRAIN DISORDERS, PSYCHOLOGICAL DISORDERS, CARDIOVASCULAR DISORDERS,GASTROINTESTINAL DISORDERS NEUROSEARCH A/S (DK) 2001-02-27 US disclosed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 WO disclosed
EP-0604353-B1 Benzimidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-07-01 EP disclosed
US-5441969-A Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1995-08-15 US disclosed
EP-0604353-A1 Benzimidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1994-06-29 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 (2 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-20020137784-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 NOS2 4535/4885HTT 1687/4885MAPK1 2906/4885
US-20020049246-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 NOS2 4535/4885HTT 1687/4885MAPK1 2906/4885

“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.