SCHEMBL1436992

SCHEMBL1436992

CCCOc1ccc(-c2ccc(C(Br)C(=O)OC)cn2)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
PTGES O14684 2/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LIMK2 P53671 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 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
SCHEMBL1437681 0.88 TAS1R3 (0.40) LIMK1AKR1C3AKR1C2PTGESMAPK8
SCHEMBL1436432 0.83 AKR1C3 (0.45) AKR1C3AKR1C2PTGESAKR1B10AKR1C4
SCHEMBL1436649 0.82 MAPT (0.38) LIMK1PTGESMAPK8MAPK10ALOX5
SCHEMBL4056987 0.76 MAPK8 (0.39) LIMK1PTGESMAPK8MAPK10LIMK2
SCHEMBL2059757 0.75 KCNH2 (0.40) PTGESMAPK8MAPK10PDK2KDM4E
SCHEMBL1436359 0.75 PPARG (0.37) LIMK1PTGESMAPK8MAPK10ALOX5
SCHEMBL1436625 0.74 PTGES (0.36) PTGESMAPK8MAPK10ALOX5PPARG
SCHEMBL6185341 0.74 TAS1R3 (0.51) TAS1R3TAS1R1MAPTACACBACACA
SCHEMBL12778515 0.74 KCNH2 (0.47) PTGESMAPK8MAPK10KDM4EMEN1
SCHEMBL1436586 0.73 PPARA (0.35) PTGESMAPK8MAPK10ALOX5PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections LEIVERS MARTIN 2011-03-03 US disclosed
WO-2011026091-A1 IMIDAZOPYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 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-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections ACE, ACE2, TPMT LIMK1 3384/4885AKR1C3 3399/4885AKR1C2 3098/4885

“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.