SCHEMBL9108907

SCHEMBL9108907

NC(=O)c1c2ccc(Br)cc2nn1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK8 P49336 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
SLC2A1 P11166 1/20 0.39
SLC2A3 P11169 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
DGAT1 O75907 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
SCN9A Q15858 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
SCHEMBL2721702 0.88 CHEK1 (0.54) CDK5CHEK1AURKACSNK1A1CDK8
SCHEMBL9910900 0.86 CHEK1 (0.59) CDK5CHEK1AURKACSNK1A1CDK8
SCHEMBL4940862 0.84 CHEK1 (0.44) CDK5CHEK1AURKACSNK1A1CDK8
SCHEMBL9107560 0.84 SLC2A1 (0.46) SLC2A1SLC2A3NPC1RAB9A
SCHEMBL9108281 0.76 ESR2 (0.44) SLC2A1SLC2A3MEN1KMT2ALMNA
SCHEMBL9910899 0.75 CHEK1 (0.70) CDK5CHEK1AURKACSNK1A1CDK8
SCHEMBL2723737 0.73 MEN1 (0.38) SLC2A1SLC2A3MEN1KMT2ALMNA
SCHEMBL15940565 0.72 CHEK1 (0.51) CDK5CHEK1AURKACSNK1A1CDK8
SCHEMBL9911861 0.71 MAPT (0.51) SLC2A1SLC2A3CA1CA2CA4
SCHEMBL15940529 0.69 NPC1 (0.42) MEN1KMT2ANPC1RAB9A

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-8546389-B2 Viral polymerase inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2013-10-01 US disclosed
US-8546389-B2 Viral polymerase inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2013-10-01 US disclosed
US-8546389-B2 Viral polymerase inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2013-10-01 US disclosed
US-20120142686-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD 2012-06-07 US disclosed
US-20120142686-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD 2012-06-07 US disclosed
US-20120142686-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD 2012-06-07 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-20120142686-A1 VIRAL POLYMERASE INHIBITORS POLR2E, POLM, POLR2H CDK5 1009/4885CHEK1 3433/4885AURKA 2705/4885

“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.