SCHEMBL21980533

SCHEMBL21980533

Cn1nccc1-c1ccc(C(=O)NC(CN)Cc2ccccc2C(F)(F)F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.45
AKT2 P31751 6/20 0.45
AKT3 Q9Y243 5/20 0.45
ROCK2 O75116 4/20 0.39
ROCK1 Q13464 3/20 0.39
PRKCB P05771 2/20 0.39
PRKCA P17252 2/20 0.39
PRKACA P17612 2/20 0.39
PRKACB P22694 2/20 0.39
PKN1 Q16512 2/20 0.39
PRKD2 Q9BZL6 2/20 0.39
SGK1 O00141 1/20 0.39
PRKD3 O94806 1/20 0.39
LATS1 O95835 1/20 0.39
PRKCG P05129 1/20 0.39
RPS6KB1 P23443 1/20 0.39
PRKCH P24723 1/20 0.39
MARK3 P27448 1/20 0.39
PRKCI P41743 1/20 0.39
CSNK1A1 P48729 1/20 0.39

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
SCHEMBL3332167 1.00 AKT1 (0.45) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3338303 0.91 AKT1 (0.45) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3331359 0.91 AKT1 (0.49) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3332316 0.91 AKT1 (0.44) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3329034 0.89 AKT1 (0.44) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3338310 0.88 AKT1 (0.38) AKT1AKT2AKT3ROCK2ACSS2
SCHEMBL3329753 0.86 ROCK2 (0.50) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL3333282 0.85 AKT1 (0.53) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL28922545 0.84 AKT1 (0.44) AKT1AKT2AKT3ROCK2ROCK1
SCHEMBL1527212 0.84 AKT1 (0.44) AKT1AKT2AKT3ROCK2ROCK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2020-05-28 US disclosed
US-9425410-B2 Organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-23 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-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 AKT1 1236/4885AKT2 1565/4885AKT3 1286/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 AKT1 1236/4885AKT2 1565/4885AKT3 1286/4885

“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.