SCHEMBL5314358

SCHEMBL5314358

O=C(Nc1ccc2[nH]nc(C3CCN(C4CC4)CC3)c2c1)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.56
BCR P11274 1/20 0.56
ITK Q08881 1/20 0.49
MAPT P10636 9/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
CASP1 P29466 3/20 0.47
HPGD P15428 3/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 4/20 0.46
CASP7 P55210 1/20 0.46
MCL1 Q07820 1/20 0.46
RAB9A P51151 10/20 0.45
NPC1 O15118 10/20 0.45
TP53 P04637 5/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL5906211 0.96 ABL1 (0.56) ABL1BCRITKMAPTSMN1; SMN2
SCHEMBL5311677 0.81 JAK2 (0.55) ITKKMT2ARAB9ANPC1HTR1A
SCHEMBL5309331 0.78 JAK2 (0.41) ABL1BCRRAB9ANPC1HTR1A
SCHEMBL5308089 0.77 HTR1A (0.50) ABL1BCRITKMAPTSMN1; SMN2
SCHEMBL5311430 0.76 JAK2 (0.46) ABL1BCRITKMEN1KMT2A
SCHEMBL5308541 0.75 ACHE (0.39) ABL1BCRMEN1KMT2ARAB9A
SCHEMBL5309301 0.75 JAK2 (0.53) ITKKMT2ARAB9ANPC1HTR1A
SCHEMBL8383741 0.75 HTR1D (0.49) ABL1BCRMAPTSMN1; SMN2MEN1
SCHEMBL5309428 0.73 LRRK2 (0.42) ABL1BCRRAB9AHTR1AHTR1D
SCHEMBL5312586 0.73 KDR (0.42) ABL1BCRITKMAPTSMN1; SMN2

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 ABL1 2500/4885BCR 4863/4885ITK 4506/4885

“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.