SCHEMBL3751890

SCHEMBL3751890

Nn1cnc2ccc(Br)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
PIM1 P11309 1/20 0.51
AKT1 P31749 1/20 0.51
FLT3 P36888 1/20 0.51
PIM3 Q86V86 1/20 0.51
MCL1 Q07820 1/20 0.48
LMNA P02545 1/20 0.45
PTGS2 P35354 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA6 Q16445 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ATM Q13315 1/20 0.43
HTT P42858 2/20 0.40
NCF1 P14598 1/20 0.40

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
SCHEMBL6651037 0.83 TYMS (0.49) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL24072199 0.79 PARP1 (0.51) ALDH1A1
SCHEMBL422211 0.79 L3MBTL1 (0.59) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL27726063 0.79 MCL1 (0.48) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL3755039 0.79 PARP1 (0.51) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL31559177 0.77 MCL1 (0.49) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL4210572 0.76 MCL1 (0.61) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL29843510 0.74 MCL1 (0.56) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL31241154 0.74 MCL1 (0.56) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL31241021 0.74 ACVR1 (0.50) CHEK1PIM1AKT1FLT3PIM3

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-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 US 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 CHEK1 2937/4885PIM1 4449/4885AKT1 3224/4885

“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.