SCHEMBL5859622

SCHEMBL5859622

O=C(Nc1ccc2[nH]ncc2c1)c1ccccc1NCC1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.67
JAK1 P23458 4/20 0.67
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
MAOB P27338 1/20 0.53
POLB P06746 2/20 0.49
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
MAT2A P31153 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TMIGD3 P0DMS9 1/20 0.47
ADORA1 P30542 1/20 0.47
CCR3 P51677 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DYRK3 O43781 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK2 Q92630 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
SCHEMBL5405984 0.81 ROCK2 (0.53) POLBROCK2ROCK1DYRK3CLK2
SCHEMBL5859617 0.78 NPC1 (0.56) JAK2JAK1NPC1RAB9AMAOB
SCHEMBL5857039 0.76 JAK2 (0.72) JAK2JAK1NPC1RAB9AMAOB
SCHEMBL5422010 0.74 POLB (0.79) JAK2JAK1NPC1RAB9AMAOB
SCHEMBL25131975 0.74 NPC1 (0.75) JAK2JAK1NPC1RAB9AMAOB
SCHEMBL5412609 0.74 MAOB (0.55) MAOBROCK2ROCK1RXFP1DYRK3
SCHEMBL15764657 0.73 JAK2 (1.00) JAK2JAK1NPC1RAB9AMAOB
SCHEMBL15764656 0.73 NPC1 (0.81) JAK2JAK1NPC1RAB9AMAOB
SCHEMBL15764662 0.73 NPC1 (1.00) JAK2JAK1NPC1RAB9AMAOB
SCHEMBL12628038 0.72 POLB (0.52) POLBROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012081-B2 Anthranyl amides and their use as medicaments SCHERING AG (DE) 2006-03-14 US disclosed
US-20050261343-A1 Anthranilamides and their use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-11-24 US disclosed
US-20040029880-A1 Anthranyl amides and their use as medicaments BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-12 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 (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-20050261343-A1 Anthranilamides and their use as pharmaceutical agents AADAC, ANTXR2, VEGFA JAK2 864/4885JAK1 3384/4885NPC1 3872/4885
US-20040029880-A1 Anthranyl amides and their use as medicaments AADAC, ANTXR2, VEGFA JAK2 1257/4885JAK1 3839/4885NPC1 3762/4885

“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.