SCHEMBL6159740

SCHEMBL6159740

O=C(CCc1ccc(NC2=NCCN2)cc1)c1ccc(N2CCOCC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.50
ADRA2B P18089 5/20 0.50
ADRA2C P18825 5/20 0.50
MAPT P10636 2/20 0.43
MAPKAPK5 Q8IW41 1/20 0.41
GPR183 P32249 1/20 0.41
AOC3 Q16853 1/20 0.40
KDR P35968 2/20 0.39
FLT1 P17948 1/20 0.39
PTGIR P43119 2/20 0.39
STAT6 P42226 2/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
FLT3 P36888 1/20 0.38
BTK Q06187 1/20 0.38
JAK2 O60674 1/20 0.38
RAF1 P04049 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
FGFR1 P11362 1/20 0.38

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 SCHEMBL6159595 0.99 ADRA2A (0.51) ADRA2AADRA2BADRA2CMAPTMAPKAPK5
SCHEMBL6159235 0.86 ADRA2A (0.57) ADRA2AADRA2BADRA2CMAPTAOC3
SCHEMBL6056621 0.85 ADRA2A (0.45) ADRA2AADRA2BADRA2CMAPTAOC3
Hydrochloric Acid SCHEMBL6163263 0.84 ADRA2A (0.46) ADRA2AADRA2BADRA2CMAPTAOC3
SCHEMBL6159356 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CAOC3PTGIR
Hydrochloric Acid SCHEMBL6161371 0.82 ADRA2A (0.49) ADRA2AADRA2BADRA2CAOC3PTGIR
SCHEMBL6161584 0.80 PTGIR (0.58) ADRA2AADRA2BADRA2CAOC3PTGIR
Hydrochloric Acid SCHEMBL6161381 0.79 PTGIR (0.57) ADRA2AADRA2BADRA2CAOC3PTGIR
SCHEMBL6160627 0.79 ADRA2A (0.52) ADRA2AADRA2BADRA2CAOC3PTGIR
SCHEMBL6159168 0.78 ADRA2A (0.48) ADRA2AADRA2BADRA2CAOC3PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339694-B1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-09-21 EP disclosed
EP-1339694-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-03 EP disclosed
US-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS SYNTEX (U.S.A.) LLC 2002-07-11 US disclosed
US-6417186-B1 TREATING PAIN, URINARY TRACT INFECTIONS, INFLAMMATION, RESPIRATORY DISEASE STATES FROM ALLERGIES OR ASTHMA, EDEMA FORMATION OR HYPOTENSIVE VASCULAR DISEASES. SYNTEX (U.S.A.) LLC 2002-07-09 US disclosed
WO-2002040453-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 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 (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-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS PTGER1, FFAR1, BDKRB1 ADRA2A 50/4885ADRA2B 46/4885ADRA2C 53/4885

“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.