SCHEMBL5312586

SCHEMBL5312586

O=C(Nc1ccc2[nH]nc(C3CCC4CCCCN4CC3)c2c1)Nc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
BTK Q06187 1/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
POLB P06746 3/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
NPY2R P49146 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8724231 0.85 HTR1D (0.49) SMN1; SMN2
SCHEMBL8148201 0.83 ULK1 (0.44) BTKABL1BCRFGFR1FLT1
SCHEMBL5308541 0.81 ACHE (0.39) NPC1RAB9AMEN1KMT2AABL1
SCHEMBL8148939 0.80 ULK1 (0.44) BTKABL1BCRFGFR1FLT1
SCHEMBL5311677 0.80 JAK2 (0.55) NPC1RAB9AKMT2AJAK2JAK1
SCHEMBL5308089 0.78 HTR1A (0.50) SMN1; SMN2NPC1RAB9AMAPTABL1
SCHEMBL5311332 0.78 JAK2 (0.56) SMN1; SMN2NPC1RAB9AMAPTABL1
SCHEMBL5906358 0.78 NPC1 (0.41) KDRSMN1; SMN2NPC1RAB9AABL1
SCHEMBL5906388 0.77 JAK2 (0.36) BTKMAPTABL1BCRFGFR1
SCHEMBL5311430 0.75 JAK2 (0.46) MEN1KMT2AABL1BCRFGFR1

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 KDR 1086/4885SMN1; SMN2 2271/4885BTK 4677/4885

“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.