SCHEMBL22158763

SCHEMBL22158763

CC(N)c1ccc(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.44
MAP4K4 O95819 1/20 0.39
NPBWR1 P48145 1/20 0.38
MAOB P27338 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CLK1 P49759 1/20 0.36
KDM1A O60341 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL22158761 1.00 KIF11 (0.44) KIF11MAP4K4NPBWR1MAOBCA12
Hydrochloric Acid SCHEMBL22158789 0.98 KIF11 (0.43) KIF11MAP4K4NPBWR1MAOBCA12
Hydrochloric Acid SCHEMBL22158792 0.98 KIF11 (0.43) KIF11MAP4K4NPBWR1MAOBCA12
SCHEMBL2609357 0.86 KIF11 (0.47) KIF11MAP4K4NPBWR1CA12CA9
SCHEMBL23122207 0.86 KMT2A (0.44) KIF11KDM4EALDH1A1HPGD
SCHEMBL9987929 0.86 KMT2A (0.44) KIF11KDM4EALDH1A1HPGD
SCHEMBL22630752 0.86 KMT2A (0.44) KIF11KDM4EALDH1A1HPGD
SCHEMBL3074268 0.86 KMT2A (0.44) KIF11KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL30049359 0.84 KMT2A (0.43) KIF11KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL29106444 0.84 KMT2A (0.43) KIF11KDM4EALDH1A1HPGD

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
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A KIF11 3197/4885MAP4K4 3133/4885NPBWR1 4708/4885

“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.