SCHEMBL1463403

SCHEMBL1463403

O=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1ccc(Br)cc1-c1nnn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.45
BLM P54132 1/20 0.43
WRN Q14191 1/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
AR P10275 1/20 0.43
CDK8 P49336 2/20 0.41
RAF1 P04049 1/20 0.41
FLT3 P36888 2/20 0.41
RIPK1 Q13546 2/20 0.41
BRAF P15056 2/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
FRK P42685 1/20 0.41

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
SCHEMBL27662692 0.91 KMT2A (0.44) KDRBLMWRNLMNAMEN1
SCHEMBL5469601 0.90 KDR (0.46) KDRBLMWRNMAPTHTT
SCHEMBL1463337 0.89 KDR (0.54) KDRLMNAMEN1MAPTHTT
SCHEMBL3581862 0.87 KDR (0.48) KDRBLMWRNARCDK8
SCHEMBL1463494 0.86 KMT2A (0.55) KDRLMNAMEN1MAPTHTT
SCHEMBL4718263 0.86 GPR35 (0.47) LMNAMEN1MAPTHTTKMT2A
SCHEMBL3579515 0.86 KDR (0.47) KDRBLMWRNARRAF1
SCHEMBL3584463 0.86 KDR (0.47) KDRBLMWRNARCDK8
SCHEMBL5950013 0.85 BLM (0.43) KDRBLMWRNARCDK8
SCHEMBL1463507 0.84 KMT2A (0.45) LMNAMEN1MAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663192-B1 hERG1 CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH AS (DK) 2008-12-03 EP claimed
US-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2006-12-14 US claimed
CN-1845726-A Erg channel openers for the treatment of cardiac arrhythmias POSEIDON PHARMACEUTICALS AS (DK) 2006-10-11 CN claimed
EP-1663192-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS Poseidon Pharmaceuticals A/S (DK) 2006-06-07 EP claimed
WO-2005023237-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO claimed
WO-2005023238-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF HYPEREXCITABILITY-RELATED NEURONAL DISEASES POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO claimed
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS OLESEN SOEREN PETER 2011-03-24 US disclosed
US-7851492-B2 ERG channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2010-12-14 US disclosed
EP-1663192-B1 hERG1 CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH AS (DK) 2008-12-03 EP disclosed
US-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias NEUROSEARCH A/S (DK) 2006-12-14 US disclosed
CN-1845726-A Erg channel openers for the treatment of cardiac arrhythmias POSEIDON PHARMACEUTICALS AS (DK) 2006-10-11 CN disclosed
EP-1663192-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS Poseidon Pharmaceuticals A/S (DK) 2006-06-07 EP disclosed
WO-2005023238-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF HYPEREXCITABILITY-RELATED NEURONAL DISEASES POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 WO disclosed
WO-2005023237-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS POSEIDON PHARMACEUTICALS A/S (DK) 2005-03-17 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 (2 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-20060281794-A1 Erg channel openers for the treatment of cardiac arrhythmias KCNJ2, KCNN3, KCNE1 KDR 2568/4885BLM 1836/4885WRN 2837/4885
US-20110071164-A1 ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS KCNJ2, KCNN3, KCNE1 KDR 2568/4885BLM 1836/4885WRN 2837/4885

“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.