SCHEMBL21945288

SCHEMBL21945288

C/N=C/c1[nH]nnc1-c1cccn1Cc1cc(Cl)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DBH P09172 1/20 0.39
▸ P2RX7 Q99572 1/20 0.36
▸ ATM Q13315 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NR1I2 O75469 1/20 0.32
▸ NR1I3 Q14994 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL21945242 0.92 KDM4E (0.41) DBHP2RX7ATMALDH1A1HTT
SCHEMBL21945240 0.85 ATM (0.41) DBHATMALDH1A1HTTKDM4E
SCHEMBL21944838 0.84 DBH (0.34) DBHATMALDH1A1KDM4ENR1I2
SCHEMBL21945791 0.84 NR1I2 (0.42) DBHATMALDH1A1HTTKDM4E
SCHEMBL21945238 0.81 CYP11B1 (0.34) DBHALDH1A1HTTKDM4E
SCHEMBL18005534 0.79 DBH (0.41) DBHP2RX7ATMALDH1A1HTT
SCHEMBL21945142 0.78 CYP11B1 (0.34) —
SCHEMBL21945148 0.77 HDAC8 (0.39) ALDH1A1HTTNR1I2NR1I3
SCHEMBL21945146 0.76 HDAC3 (0.37) ATMALDH1A1MEN1KMT2A
SCHEMBL21944845 0.75 KDM4E (0.39) P2RX7ALDH1A1KDM4ESMN1; SMN2GSK3B

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 DBH 2070/4885P2RX7 4488/4885ATM 675/4885

“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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