SCHEMBL8513871

SCHEMBL8513871

Cc1c(-c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.46
CREBBP Q92793 5/20 0.40
KCNH2 Q12809 2/20 0.40
KLKB1 P03952 1/20 0.40
CHRM5 P08912 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
ADORA2B P29275 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
TYMS P04818 1/20 0.38
KIF11 P52732 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
NPBWR1 P48145 1/20 0.37

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
SCHEMBL19002091 0.90 MAT2A (0.44) MAT2AKCNH2CHRM5ABL1ADORA2B
SCHEMBL8535741 0.89 ABL1 (0.41) CREBBPKCNH2KLKB1CHRM5ABL1
SCHEMBL8533234 0.89 MAT2A (0.49) MAT2ACREBBPKCNH2KLKB1CHRM5
SCHEMBL8537370 0.89 MAT2A (0.43) MAT2ACREBBPKCNH2KLKB1CHRM5
SCHEMBL8538579 0.89 MAT2A (0.61) MAT2ACREBBPKCNH2KLKB1CHRM5
SCHEMBL8536502 0.89 MAT2A (0.43) MAT2ACREBBPKCNH2KLKB1CHRM5
SCHEMBL8653277 0.89 MAT2A (0.49) MAT2ACREBBPKCNH2KLKB1CHRM5
SCHEMBL8531391 0.89 CREBBP (0.40) CREBBPKCNH2KLKB1CHRM5ABL1
SCHEMBL19002099 0.88 KDM5B (0.42) CREBBPKCNH2KLKB1CHRM5ABL1
SCHEMBL8537027 0.87 ALDH1A1 (0.41) CREBBPKLKB1ADORA3MAPK8MAPK10

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 10 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
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO 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
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 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 3025/4885CREBBP 1531/4885KCNH2 1671/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 MAT2A 2903/4885CREBBP 1354/4885KCNH2 2133/4885

“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.