SCHEMBL19002091

SCHEMBL19002091

Cc1c(-c2cnn(CCc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.44
ABL1 P00519 6/20 0.38
ADORA2B P29275 4/20 0.38
MET P08581 1/20 0.38
POLB P06746 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KCNH2 Q12809 3/20 0.37
CHRM5 P08912 1/20 0.37
KIF11 P52732 1/20 0.37
HAT1 O14929 1/20 0.36
EP300 Q09472 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
CYP2D6 P10635 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
SCHEMBL8513871 0.90 MAT2A (0.46) MAT2AABL1ADORA2BADORA2AADORA1
SCHEMBL21023741 0.88 KIF11 (0.37) ABL1ADORA2BMETPOLBADORA2A
SCHEMBL8535741 0.80 ABL1 (0.41) ABL1ADORA2BADORA2AADORA1KCNH2
SCHEMBL8537370 0.80 MAT2A (0.43) MAT2AABL1ADORA2BADORA2AADORA1
SCHEMBL8533234 0.80 MAT2A (0.49) MAT2AABL1ADORA2BADORA2AADORA1
SCHEMBL8536502 0.80 MAT2A (0.43) MAT2AABL1ADORA2BPOLBADORA2A
SCHEMBL8653277 0.80 MAT2A (0.49) MAT2AABL1ADORA2BADORA2AADORA1
SCHEMBL8538579 0.80 MAT2A (0.61) MAT2AABL1ADORA2BADORA2AADORA1
SCHEMBL8532964 0.80 MAT2A (0.52) MAT2AKIF11CYP2D6
SCHEMBL8531391 0.79 CREBBP (0.40) ABL1ADORA2BADORA2AADORA1KCNH2

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 MAT2A 3025/4885ABL1 1592/4885ADORA2B 2312/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 MAT2A 2903/4885ABL1 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.