SCHEMBL21944845

SCHEMBL21944845

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ P2RX7 Q99572 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ BACE1 P56817 2/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CDK8 P49336 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
SCHEMBL21945136 0.90 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL21945146 0.90 HDAC3 (0.37) ALDH1A1MAPT
SCHEMBL21945145 0.89 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2P2RX7MAPT
SCHEMBL21945290 0.87 HCRTR1 (0.32) P2RX7
SCHEMBL21945240 0.86 ATM (0.41) KDM4EALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL21945141 0.86 ALDH1A1 (0.38) ALDH1A1LMNABCHEACHEBACE1
SCHEMBL21945238 0.86 CYP11B1 (0.34) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL21945111 0.85 ROCK2 (0.35) MAPK1CLK2GSK3A
SCHEMBL21944841 0.85 C5AR1 (0.32) —
SCHEMBL21945148 0.84 HDAC8 (0.39) ALDH1A1LMNAIDO1

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 KDM4E 2681/4885ALDH1A1 1611/4885SMN1; SMN2 3834/4885

“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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