SCHEMBL21023741

SCHEMBL21023741

CC(C)c1c(-c2cnn(CCc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
ABL1 P00519 6/20 0.37
ADORA2B P29275 5/20 0.37
HAT1 O14929 1/20 0.37
EP300 Q09472 1/20 0.37
POLB P06746 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
BCR P11274 1/20 0.35
CHRM5 P08912 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
MET P08581 1/20 0.35
KDM5A P29375 1/20 0.35
DAGLA Q9Y4D2 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL19002099 0.91 KDM5B (0.42) KIF11ABL1ADORA2BADORA2AADORA1
SCHEMBL19002091 0.88 MAT2A (0.44) KIF11ABL1ADORA2BHAT1EP300
SCHEMBL8513871 0.79 MAT2A (0.46) KIF11ABL1ADORA2BADORA2AADORA1
SCHEMBL8535741 0.78 ABL1 (0.41) KIF11ABL1ADORA2BADORA2AADORA1
SCHEMBL8531391 0.77 CREBBP (0.40) KIF11ABL1ADORA2BADORA2AADORA1
SCHEMBL8537027 0.74 ALDH1A1 (0.41)
SCHEMBL8534905 0.71 CTSV (0.47) KIF11ABL1BCRCHRM5KCNH2
SCHEMBL19002060 0.69 PDE2A (0.44) ABL1KCNH2SCN5A
SCHEMBL8536502 0.69 MAT2A (0.43) ABL1ADORA2BPOLBADORA2AADORA1
SCHEMBL8537370 0.69 MAT2A (0.43) ABL1ADORA2BADORA2AADORA1BCR

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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 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 (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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor NDUFB7, NDUFB3, NDUFB5 KIF11 2588/4885ABL1 1592/4885ADORA2B 2312/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 KIF11 1969/4885ABL1 1819/4885ADORA2B 1861/4885

“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.