SCHEMBL659974

SCHEMBL659974

Cc1c(Cl)ccc2nc(Cl)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
DAO P14920 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
TYMS P04818 1/20 0.34
HCAR1 Q9BXC0 5/20 0.33
PARP1 P09874 1/20 0.32
LMNA P02545 1/20 0.32
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
CES1 P23141 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
SCHEMBL12020719 0.84 ALDH1A1 (0.47) MAPTDAOALDH1A1CSNK2A1TYMS
SCHEMBL3711999 0.84 DAO (0.37) MAPTDAOALDH1A1TYMS
Benzimidazole SCHEMBL7413340 0.81 ALDH1A1 (0.35) MAPTALDH1A1PARP1ATP4AATP4B
SCHEMBL1625968 0.79 HCAR1 (0.33) CSNK2A2CSNK2BCSNK2A1HCAR1
SCHEMBL13542739 0.78 KDM4E (0.40) MAPTDAOALDH1A1TYMSLMNA
SCHEMBL7345392 0.78 PDE3B (0.42) MAPTALDH1A1
SCHEMBL31569587 0.75 PIN1 (0.50) MAPTDAOCSNK2A2CSNK2BCSNK2A1
SCHEMBL6139156 0.72 PARP1 (0.41) DAOALDH1A1PARP1
SCHEMBL66296 0.71 NOS1 (0.44) MAPTDAOALDH1A1TYMSPARP1
SCHEMBL1192890 0.69 GRIN2D (0.31) ALDH1A1

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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB MAPT 964/4885DAO 4399/4885ALDH1A1 4784/4885

“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.