SCHEMBL9910895

SCHEMBL9910895

Clc1c2ccc(Br)cc2nn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
NEK2 P51955 1/20 0.41
LIMK1 P53667 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MPO P05164 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9108281 0.84 ESR2 (0.44) ESR2ALDH1A1LMNAKMT2AMEN1
SCHEMBL4814314 0.81 ESR2 (0.41) ESR2MAPTKDM4ERAB9A
SCHEMBL23320542 0.81 CA9 (0.49) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL5137221 0.81 CHEK1 (0.48) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL5312199 0.80 ESR2 (0.71) ESR2ALDH1A1LMNAHTTMAPT
SCHEMBL28792817 0.79 ESR2 (0.74) ESR2ALDH1A1LMNAHTTMAPT
SCHEMBL9910898 0.77 MAPT (0.40) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL9910899 0.77 CHEK1 (0.70) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16498629 0.77 ESR2 (0.47) ESR2CHEK1AURKACSNK1A1CDK8
SCHEMBL9910900 0.75 CHEK1 (0.59) CHEK1AURKACSNK1A1CDK8NEK2

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-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
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 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-20120142686-A1 VIRAL POLYMERASE INHIBITORS POLR2E, POLM, POLR2H ESR2 3587/4885CHEK1 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.