SCHEMBL17271391

SCHEMBL17271391

CC1(C)CCC(NC(=NC#N)Nc2ccc(F)nc2)CC(C)(C)N1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNJ11 Q14654 9/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ JAK2 O60674 3/20 0.30
▸ JAK1 P23458 3/20 0.30
▸ MCHR1 Q99705 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
SCHEMBL16994487 1.00 KCNJ11 (0.33) KCNJ11KDM4EGAAKMT2AJAK2
SCHEMBL16994505 0.93 KDM4E (0.37) KCNJ11KDM4EGAAKMT2AJAK2
SCHEMBL16994489 0.89 P2RX7 (0.38) KDM4EGAAKMT2A
SCHEMBL9902321 0.89 KDM4E (0.34) KCNJ11KDM4EGAAKMT2A
SCHEMBL16994502 0.86 KDM4E (0.34) KDM4EGAAKMT2AJAK2JAK1
SCHEMBL9902354 0.86 KDM4E (0.34) KDM4EGAAKMT2AJAK2JAK1
SCHEMBL16994511 0.83 P2RX7 (0.41) KCNJ11KDM4EGAAKMT2A
SCHEMBL17271379 0.83 KCNJ11 (0.34) KCNJ11
SCHEMBL16994509 0.83 KCNJ11 (0.34) KCNJ11
SCHEMBL9901606 0.83 FPR2 (0.35) KDM4EGAAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 — — US claimed
US-9522903-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2016-12-20 — — US disclosed
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 — — 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-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 KCNJ11 99/4885KDM4E 1377/4885GAA 1484/4885

“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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