SCHEMBL3889066

SCHEMBL3889066

N=c1sccn1C(=O)n1ccsc1=N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ INMT O95050 2/20 0.44
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GFER P55789 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAD52 P43351 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30

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 SCHEMBL14119393 0.64 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL525220 0.42 FBP1 (0.38) —
SCHEMBL7126113 0.42 FBP1 (0.38) —
SCHEMBL5327434 0.42 FBP1 (0.38) —
SCHEMBL168109 0.36 — —
Bicarbonate SCHEMBL618447 0.33 — —
Benzene SCHEMBL5081287 0.33 CA1 (0.71) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
Benzene SCHEMBL10961254 0.33 CA1 (0.71) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
Benzene SCHEMBL3284185 0.33 CA1 (0.71) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
Bicarbonate SCHEMBL32918 0.33 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 — — US disclosed
EP-1456206-B1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2008-05-21 — — EP disclosed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 — — US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 — — US disclosed
EP-1455779-B1 INDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-08-09 — — EP disclosed
US-7022701-B2 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-04-04 — — US disclosed
US-6906095-B2 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-06-14 — — US disclosed
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 — — US disclosed
US-20040209867-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-10-21 — — US disclosed
US-6800640-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-10-05 — — US disclosed
EP-1455779-A1 INDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-09-15 — — EP disclosed
EP-1456206-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-09-15 — — EP disclosed
US-6770642-B2 FOR USE IN TREATMENT OF CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, EPILEPSY, OBSESSIVE COMPULSIVE DISORDER, ATTENTION DEFICIT DISORDER, MIGRAINE, COGNITIVE MEMORY ENHANCEMENT, ALZHEIMER'S DISEASE WYETH 2004-08-03 — — US disclosed
US-20040002527-A1 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-01-01 — — US disclosed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 — — US disclosed
US-20030171353-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 — — US disclosed
WO-2003053433-A1 INDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-07-03 — — WO disclosed
WO-2003053970-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-07-03 — — 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 (6 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-20040002527-A1 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2A INMT 80/4885NPC1 1168/4885RAB9A 3857/4885
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A INMT 36/4885NPC1 2643/4885RAB9A 2746/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 INMT 34/4885NPC1 3052/4885RAB9A 2693/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 INMT 34/4885NPC1 3052/4885RAB9A 2693/4885
US-20040209867-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A INMT 53/4885NPC1 794/4885RAB9A 2884/4885
US-20030171353-A1 Indolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A INMT 53/4885NPC1 794/4885RAB9A 2884/4885

“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.

Send feedback