SCHEMBL23946259

SCHEMBL23946259

CN(N)c1ccc(F)cc1NC1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ MCHR1 Q99705 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ IRAK4 Q9NWZ3 3/20 0.31
▸ PIM1 P11309 2/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ JAK2 O60674 2/20 0.30
▸ GAA P10253 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ GLA P06280 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCNA2 P20248 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
SCHEMBL20355409 0.87 MCHR1 (0.36) DDB1CRBNROCK2MCHR1KDM4E
SCHEMBL20355408 0.83 KDM4E (0.38) DDB1CRBNMCHR1KDM4EHPGD
SCHEMBL20355077 0.79 MCHR1 (0.33) DDB1CRBNROCK2MCHR1KDM4E
SCHEMBL15173416 0.75 ALDH1A1 (0.43) ROCK2KDM4EHPGDHTTGAA
SCHEMBL29526795 0.74 KDM4E (0.46) ROCK2KDM4EHPGDPIM1GAA
SCHEMBL10175327 0.74 KDM4E (0.46) ROCK2KDM4EHPGDPIM1GAA
SCHEMBL20355407 0.72 DPP4 (0.31) —
SCHEMBL14993992 0.70 HPGD (0.36) ROCK2KDM4EHPGDIRAK4PIM1
SCHEMBL460338 0.70 GAA (0.46) ROCK2KDM4EHPGDHTTPIM1
SCHEMBL24869066 0.70 RECQL (0.39) ROCK2KDM4EHPGDJAK2ADRA1A

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-3562487-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2023-11-29 — — EP disclosed
US-20210322409-A1 METALLOENZYME INHIBITOR COMPOUNDS SELENITY THERAPEUTICS (BERMUDA), LTD. (BM) 2021-10-21 — — 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-20210322409-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH DDB1 1410/4885CRBN 2232/4885ROCK2 3423/4885

“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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