SCHEMBL897853

SCHEMBL897853

O=C1C2=c3ccccc3=NC2=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.38
CDC25A P30304 1/20 0.38
MAPT P10636 7/20 0.35
ALDH1A1 P00352 6/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
LMNA P02545 5/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 3/20 0.35
PKM P14618 2/20 0.35
BCHE P06276 2/20 0.35
PTPRC P08575 2/20 0.35
THRB P10828 2/20 0.35
CES1 P23141 2/20 0.35
RECQL P46063 2/20 0.35
IDO1 P14902 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN1 P18031 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL1820520 0.86 ALDH1A1 (0.33) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3905504 0.71 MAPT (0.34) MAPTALDH1A1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL7482838 0.70 MAPT (0.33) MAPTALDH1A1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL7484754 0.70 MAPT (0.33) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL8890839 0.69 MAPT (0.35) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4132834 0.68 MAPT (0.37) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL1899511 0.66 ABCG2 (0.35)
SCHEMBL9666118 0.66 MAPT (0.38) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL29161382 0.65 MAPT (0.54) MAPTALDH1A1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL5486774 0.65 ABCG2 (0.31)

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-9126931-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-09-08 US disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 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-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 CDC25B 1094/4885CDC25A 632/4885MAPT 68/4885

“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.