SCHEMBL9910898

SCHEMBL9910898

N#Cc1c2ccc(Br)cc2nn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCAT1 P54687 2/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CA9 Q16790 2/20 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
SCHEMBL23320374 0.82 CHEK1 (0.58) MAPTKDM4EALDH1A1MAPK1HPGD
SCHEMBL29028696 0.79 CSNK2A1 (0.40) MAPTKDM4EALDH1A1MAPK1HPGD
SCHEMBL9910895 0.77 ESR2 (0.50) MAPTKDM4EALDH1A1TDP1CHEK1
SCHEMBL23320542 0.77 CA9 (0.49) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL5137221 0.77 CHEK1 (0.48) MAPTKDM4EALDH1A1MAPK1HPGD
SCHEMBL23320472 0.77 NPC1 (0.55) MAPTKDM4EALDH1A1HPGDCA9
SCHEMBL27359756 0.75 PDE10A (0.38) MAPTALDH1A1MAPK1ALOX15CDK5
SCHEMBL9910899 0.73 CHEK1 (0.70) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL9910900 0.71 CHEK1 (0.59) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL16517104 0.70 EGFR (0.38) MAPTKDM4EALDH1A1TDP1NPC1

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 2 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

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 MAPT 1446/4885KDM4E 4521/4885ALDH1A1 456/4885

“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.