SCHEMBL5311677

SCHEMBL5311677

O=C(Nc1ccc2[nH]nc(C3CCN(C4CCCC4)CC3)c2c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.55
JAK1 P23458 3/20 0.55
ULK1 O75385 2/20 0.49
ITK Q08881 3/20 0.48
KMT2A Q03164 1/20 0.48
BRD4 O60885 1/20 0.45
AURKA O14965 1/20 0.45
RORC P51449 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTR1D P28221 3/20 0.43
HTR1A P08908 2/20 0.43
HTR1B P28222 2/20 0.43
HTR1F P30939 2/20 0.43
LRRK2 Q5S007 1/20 0.43
NAMPT P43490 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
SCHEMBL5309301 0.92 JAK2 (0.53) JAK2JAK1ULK1ITKKMT2A
SCHEMBL5308089 0.85 HTR1A (0.50) ULK1ITKNPC1RAB9AHTR1D
SCHEMBL5311430 0.85 JAK2 (0.46) JAK2JAK1ITKKMT2ALRRK2
SCHEMBL5302823 0.83 JAK2 (0.43) JAK2JAK1ULK1ITKKMT2A
SCHEMBL5906211 0.83 ABL1 (0.56) ITKKMT2ANPC1RAB9AHTR1D
SCHEMBL8148201 0.82 ULK1 (0.44) JAK2JAK1ULK1ITKBRD4
SCHEMBL8148939 0.81 ULK1 (0.44) JAK2JAK1ULK1ITKBRD4
SCHEMBL5314358 0.81 ABL1 (0.56) ITKKMT2ANPC1RAB9AHTR1D
SCHEMBL5309428 0.80 LRRK2 (0.42) JAK2JAK1RAB9AHTR1DHTR1A
SCHEMBL5311761 0.80 MEN1 (0.43) JAK2JAK1ULK1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841427-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID Pozen, Inc. (US) 2007-10-10 EP disclosed
US-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID POZEN INC. (US) 2006-08-10 US disclosed
WO-2006081127-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID POZEN INC. (US) 2006-08-03 WO disclosed
EP-0978514-B1 Indazole derivatives as 5-HT1F agonists LILLY CO ELI (US) 2004-12-15 EP disclosed
US-6133290-A 5-HT1F agonists ELI LILLY AND COMPANY (US) 2000-10-17 US disclosed
WO-2000006173-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0978514-A1 Indazole derivatives as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2000-02-09 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 (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-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID HTR1F, HTR1A, HTR1E JAK2 1471/4885JAK1 1743/4885ULK1 4778/4885

“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.