SCHEMBL21945240

SCHEMBL21945240

C/N=C/c1[nH]nnc1-c1cccn1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.41
▸ VEGFA P15692 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ NR1I3 Q14994 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ MAPT P10636 5/20 0.33
▸ TP53 P04637 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ DBH P09172 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL21944838 0.92 DBH (0.34) ATMEGLN1NR1I2NR1I3KDM4E
SCHEMBL21945238 0.90 CYP11B1 (0.34) KDM4EMAPK1CYP11B1CYP11B2MAPT
SCHEMBL21945791 0.89 NR1I2 (0.42) ATMNR1I2NR1I3KDM4EKMT2A
SCHEMBL21945148 0.88 HDAC8 (0.39) NR1I2NR1I3CYP11B1CYP11B2ALDH1A1
SCHEMBL21945146 0.87 HDAC3 (0.37) ATMKMT2AMEN1MAPTALDH1A1
SCHEMBL21944845 0.86 KDM4E (0.39) KDM4EMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL21945288 0.85 DBH (0.39) ATMNR1I2NR1I3KDM4EKMT2A
SCHEMBL21945242 0.85 KDM4E (0.41) ATMKDM4EKMT2AMEN1MAPT
SCHEMBL21945142 0.85 CYP11B1 (0.34) CYP11B1CYP11B2MAPT
SCHEMBL21945141 0.84 ALDH1A1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 ATM 675/4885VEGFA 404/4885EGLN1 1978/4885

“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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