SCHEMBL19002099

SCHEMBL19002099

CC(C)c1c(-c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 3/20 0.42
ADORA2B P29275 5/20 0.39
ADORA3 P0DMS8 3/20 0.39
CREBBP Q92793 3/20 0.39
KIF11 P52732 1/20 0.38
CHRM5 P08912 1/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
KCNH2 Q12809 2/20 0.37
KLKB1 P03952 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL21023741 0.91 KIF11 (0.37) ADORA2BKIF11CHRM5ABL1BCR
SCHEMBL8513871 0.88 MAT2A (0.46) ADORA2BADORA3CREBBPKIF11CHRM5
SCHEMBL8535741 0.87 ABL1 (0.41) ADORA2BADORA3CREBBPKIF11CHRM5
SCHEMBL8531391 0.86 CREBBP (0.40) ADORA2BADORA3CREBBPKIF11CHRM5
SCHEMBL8537027 0.83 ALDH1A1 (0.41) ADORA3CREBBPKLKB1
SCHEMBL8534905 0.80 CTSV (0.47) CREBBPKIF11CHRM5ABL1BCR
SCHEMBL19002091 0.79 MAT2A (0.44) ADORA2BKIF11CHRM5ABL1KCNH2
SCHEMBL8537370 0.77 MAT2A (0.43) ADORA2BADORA3CREBBPCHRM5ABL1
SCHEMBL8533234 0.77 MAT2A (0.49) ADORA2BCREBBPCHRM5ABL1BCR
SCHEMBL8653277 0.77 MAT2A (0.49) ADORA2BADORA3CREBBPCHRM5ABL1

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 7 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 claimed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US claimed
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-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
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor NDUFB7, NDUFB3, NDUFB5 KDM5B 3765/4885ADORA2B 2312/4885ADORA3 2864/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 KDM5B 3597/4885ADORA2B 1861/4885ADORA3 2737/4885

“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.