SCHEMBL6027212

SCHEMBL6027212

O=C(Nc1ccc(-c2ncc(-c3cccc(NC(=O)c4ccccn4)c3)[nH]2)cc1)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.55
GRM4 Q14833 5/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
BACE1 P56817 3/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SCN2A Q99250 1/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL6885328 0.95 KDR (0.55) KDRGRM4HDAC6KCNK3KCNK9
SCHEMBL6889061 0.94 GRM4 (0.56) KDRGRM4HDAC6KCNK3KCNK9
SCHEMBL6027211 0.89 GRM4 (0.45) KDRGRM4HDAC6KCNK3KCNK9
SCHEMBL1624812 0.80 GRM4 (0.57) GRM4HDAC6
SCHEMBL6030750 0.79 RAB9A (0.62) KDRGRM4NPC1RAB9ASMN1; SMN2
SCHEMBL31660405 0.79 BACE1 (0.61) KCNK3KCNK9BACE1NPC1RAB9A
SCHEMBL26094468 0.79 BACE1 (0.61) KCNK3KCNK9BACE1NPC1RAB9A
SCHEMBL15707580 0.78 SCN2A (0.55) GRM4HDAC6BACE1SMN1; SMN2SCN2A
SCHEMBL19443319 0.78 GRM4 (0.43) GRM4BACE1SCN2A
SCHEMBL19443380 0.78 LMNA (0.48) BACE1NPC1RAB9ASMN1; SMN2SCN2A

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
EP-1613310-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS Avanir Pharmaceuticals (US) 2006-01-11 EP disclosed
US-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 US disclosed
WO-2004091610-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS AVANIR PHARMACEUTICALS (US) 2004-10-28 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-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders ICOS, TSLP, IKZF3 KDR 876/4885GRM4 4630/4885HDAC6 1515/4885

“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.