SCHEMBL5651590

SCHEMBL5651590

O=[N+]([O-])c1ccc(CCNC2CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.61
TSHR P16473 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
KCNH2 Q12809 2/20 0.50
KCNJ1 P48048 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46

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
Hydrochloric Acid SCHEMBL27940283 0.91 GRIN2B (0.56) GRIN2BHRH3MEN1KMT2ALMNA
SCHEMBL4208603 0.90 GRIN2B (0.55) GRIN2BTSHRHRH3KCNH2KCNJ1
SCHEMBL28181000 0.83 BCHE (0.66) GRIN2BBCHEACHEBACE1MEN1
SCHEMBL4523282 0.81 POLB (0.64) GRIN2BTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9628053 0.78 KCNH2 (0.73) TSHRHRH3KCNH2KCNJ1CA1
SCHEMBL346327 0.77 ALDH1A1 (0.54) GRIN2BTSHRHRH3KCNH2KCNJ1
SCHEMBL5690101 0.77 GRIN2B (0.65) GRIN2BTSHRBCHEACHEBACE1
SCHEMBL5689793 0.77 GRIN2B (0.65) GRIN2BTSHRBCHEACHEBACE1
SCHEMBL5689790 0.77 GRIN2B (0.65) GRIN2BTSHRBCHEACHEBACE1
SCHEMBL12693810 0.77 TSHR (0.60) TSHRHRH3KCNH2KCNJ1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US disclosed
CN-1882586-A 1H-imidazo[4,5-C]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2006-12-20 CN disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 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 (1 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-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ GRIN2B 3017/4885TSHR 3140/4885HRH3 1095/4885

“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.