SCHEMBL27227826

SCHEMBL27227826

Cn1ncc2c([N+](=O)[O-])cc(C#N)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 3/20 0.47
▸ CREBBP Q92793 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MITF O75030 1/20 0.39

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
SCHEMBL30860915 0.79 CREBBP (0.47) CREBBPMAPTNPSR1GRIN2DGRIN3B
SCHEMBL27227845 0.79 CREBBP (0.47) CREBBPMAPTNPSR1GRIN2DGRIN3B
SCHEMBL27227902 0.78 CREBBP (0.46) CREBBPMAPTNPSR1GAALMNA
SCHEMBL1780298 0.78 CREBBP (0.46) CREBBPMAPTNPSR1LMNAHTT
SCHEMBL22411925 0.74 CREBBP (0.46) CREBBPMAPTNPSR1GAALMNA
SCHEMBL22411798 0.74 CREBBP (0.43) CREBBPMAPTNPSR1GAALMNA
SCHEMBL27227910 0.74 CREBBP (0.49) CREBBPMAPTNPSR1GAALMNA
SCHEMBL30860910 0.74 CYP11B2 (0.37) HTT
SCHEMBL27228034 0.74 CYP11B2 (0.37) HTT
SCHEMBL18585253 0.74 MEN1 (0.40) HTTMEN1KMT2A

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
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 — — US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 — — 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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 VCAM1 4400/4885CREBBP 994/4885MAPT 623/4885

“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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