SCHEMBL586596

SCHEMBL586596

O=S(=O)(Oc1ncc2ccn(C3CCC3)c2n1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.40
▸ TTK P33981 3/20 0.38
▸ CDK4 P11802 5/20 0.38
▸ CDK1 P06493 2/20 0.36
▸ INSR P06213 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ AURKB Q96GD4 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ DRD2 P14416 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD5 P21918 1/20 0.31

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
SCHEMBL8511314 0.77 TTK (0.45) AURKATTKCDK4CDK1INSR
SCHEMBL29287417 0.69 TTK (0.46) AURKATTKCDK4CDK1INSR
SCHEMBL8513398 0.69 AURKA (0.46) AURKATTKCDK4CDK1INSR
SCHEMBL586028 0.69 AURKA (0.46) AURKATTKCDK4CDK1INSR
SCHEMBL31267061 0.68 HCAR3 (0.33) CDK4
SCHEMBL24855874 0.68 CDK4 (0.49) AURKACDK4CDK1AURKB
SCHEMBL4202568 0.67 CDK4 (0.47) AURKATTKCDK4CDK1INSR
SCHEMBL7491703 0.66 ALPL (0.38) DRD2DRD3ALDH1A1CYP1A2
SCHEMBL21840684 0.64 CCNE1 (0.52) CDK1ALDH1A1
SCHEMBL589563 0.64 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3

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
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 — — US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 — — US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 — — US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 — — US disclosed
EP-2417133-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 — — EP disclosed
WO-2010117935-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 — — 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 (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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 AURKA 2717/4885TTK 3989/4885CDK4 411/4885

“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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