SCHEMBL5309331

SCHEMBL5309331

O=C(Nc1ccc2[nH]nc(C3CCN(C4CC4)CC3)c2c1)c1cccc(I)c1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.41
JAK1 P23458 7/20 0.41
ULK1 O75385 2/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
LRRK2 Q5S007 1/20 0.36
HTR1D P28221 5/20 0.36
HTR1B P28222 4/20 0.36
HTR1A P08908 2/20 0.36
HTR1F P30939 2/20 0.36
CSNK2A1 P68400 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL5311430 0.78 JAK2 (0.46) JAK2JAK1ABL1BCRLRRK2
SCHEMBL5314358 0.78 ABL1 (0.56) ABL1BCRHTR1DHTR1BHTR1A
SCHEMBL5311677 0.78 JAK2 (0.55) JAK2JAK1ULK1LRRK2HTR1D
SCHEMBL5906211 0.75 ABL1 (0.56) ABL1BCRHTR1DHTR1BHTR1A
SCHEMBL5311332 0.75 JAK2 (0.56) JAK2JAK1ULK1ABL1BCR
SCHEMBL5308089 0.75 HTR1A (0.50) ULK1ABL1BCRHTR1DHTR1B
SCHEMBL5302823 0.73 JAK2 (0.43) JAK2JAK1ULK1ABL1BCR
SCHEMBL5309301 0.72 JAK2 (0.53) JAK2JAK1ULK1LRRK2HTR1D
SCHEMBL5308541 0.72 ACHE (0.39) ULK1ABL1BCRNPC1RAB9A
SCHEMBL8383385 0.71 MAOB (0.35) HTR1F

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.