SCHEMBL6416275

SCHEMBL6416275

COC(=O)c1c2ccccc2nn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MPO P05164 3/20 0.56
▸ HPGD P15428 2/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ CSNK1A1 P48729 1/20 0.49
▸ CDK8 P49336 1/20 0.49
▸ NEK2 P51955 1/20 0.49
▸ LIMK1 P53667 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47

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
SCHEMBL6411455 0.82 CHEK1 (0.68) MEN1KMT2AMPOCHEK1AURKA
SCHEMBL28643520 0.81 MPO (0.49) MEN1KMT2AMPOHPGDCHEK1
SCHEMBL29161027 0.80 CHEK1 (0.56) MEN1KMT2AMPOHPGDCHEK1
SCHEMBL1562180 0.80 ALDH1A1 (0.49) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL30636856 0.78 RIPK1 (0.51) MEN1KMT2AMPOCHEK1AURKA
SCHEMBL29092663 0.76 BRD4 (0.47) MEN1KMT2AMPOKDM4EPOLB
SCHEMBL9161993 0.76 HPGD (0.59) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL23320433 0.75 MPO (0.49) MEN1KMT2AMPOHPGDCHEK1
SCHEMBL22780224 0.75 MPO (0.52) KMT2AMPOHPGDALDH1A1MAPT
SCHEMBL17111886 0.75 HPGD (0.55) MEN1KMT2AMPOHPGDCHEK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use AVENTIS PHARMA (FR) 2005-01-27 — — 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-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use TUBB3, TUBB, TUBB1 MEN1 4042/4885KMT2A 2804/4885MPO 1812/4885

“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.

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