SCHEMBL16994514

SCHEMBL16994514

CC1(C)CC(N/C(=N/C#N)Nc2cccc(F)c2)C(C)(C)N1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.37
▸ EPHX2 P34913 4/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ GRM5 P41594 1/20 0.33

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
SCHEMBL9902059 0.87 P2RX7 (0.44) P2RX7SIGMAR1EPHX2TSHRMAPK10
SCHEMBL16994513 0.87 P2RX7 (0.44) P2RX7SIGMAR1EPHX2TSHRMAPK10
SCHEMBL16994496 0.87 P2RX7 (0.39) P2RX7SIGMAR1EPHX2MAPK10RAB9A
SCHEMBL17271378 0.87 P2RX7 (0.39) P2RX7EPHX2MEN1GAAKMT2A
SCHEMBL16994512 0.87 P2RX7 (0.39) P2RX7EPHX2MEN1GAAKMT2A
SCHEMBL16994491 0.84 JAK2 (0.33) GRM5
SCHEMBL9901986 0.84 JAK2 (0.33) GRM5
SCHEMBL9902941 0.83 P2RX7 (0.41) P2RX7SIGMAR1EPHX2TSHRMAPK10
SCHEMBL16994524 0.83 P2RX7 (0.41) P2RX7SIGMAR1EPHX2TSHRMAPK10
SCHEMBL9901650 0.82 QPCT (0.37) SIGMAR1EPHX2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2017-04-20 — — US disclosed
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
US-9102659-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2015-08-11 — — 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 (2 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-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 P2RX7 348/4885SIGMAR1 680/4885EPHX2 2392/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 P2RX7 412/4885SIGMAR1 652/4885EPHX2 2467/4885

“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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