SCHEMBL16264701

SCHEMBL16264701

CCn1cc(Cn2nnc3ccccc32)nn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 7/20 0.61
▸ GRM2 Q14416 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.50
▸ KCNMA1 Q12791 1/20 0.49
▸ AURKA O14965 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ MARK3 P27448 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ RPS6KA3 P51812 1/20 0.47
▸ LIMK1 P53667 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ PRKCD Q05655 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CDC42BPA Q5VT25 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47

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
SCHEMBL19387184 0.89 SLC9A1 (0.63) SLC9A1GRM2TDP1KCNMA1
SCHEMBL14987522 0.85 SLC9A1 (0.54) SLC9A1GRM2TDP1KCNMA1AURKA
SCHEMBL18625955 0.85 SLC9A1 (0.50) SLC9A1GRM2TDP1KCNMA1AURKA
SCHEMBL16263162 0.85 SLC9A1 (0.50) SLC9A1GRM2TDP1KCNMA1AURKA
SCHEMBL23386958 0.82 SLC9A1 (0.57) SLC9A1GRM2TDP1KCNMA1AURKA
SCHEMBL18625983 0.80 SLC9A1 (0.50) SLC9A1GRM2TDP1AURKACDK1
SCHEMBL25868683 0.78 SLC9A1 (0.53) SLC9A1GRM2TDP1KCNMA1AURKA
SCHEMBL29735050 0.77 SLC9A1 (1.00) SLC9A1GRM2TDP1KCNMA1
SCHEMBL45852 0.77 SLC9A1 (1.00) SLC9A1GRM2TDP1KCNMA1
SCHEMBL9637481 0.76 SLC9A1 (0.96) SLC9A1GRM2TDP1KCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999707-B1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF BAYER ANIMAL HEALTH GMBH (DE) 2018-03-28 — — EP disclosed
EP-2782922-B1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION BAYER IP GMBH (DE) 2017-12-20 — — EP disclosed
US-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 — — US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 — — US disclosed
US-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF THE KITASAKO INSTITUTE (JP) 2016-04-21 — — US disclosed
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION ELANCO ANIMAL HEALTH GMBH (DE) 2014-11-27 — — 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-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF TMSB10, MLN, TMSB4X SLC9A1 4635/4885GRM2 4214/4885TDP1 2533/4885
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION MLN, TMSB10, TMSB4X SLC9A1 4271/4885GRM2 4657/4885TDP1 2498/4885

“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.

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