SCHEMBL16553664

SCHEMBL16553664

CN(C1(C)CCN(C(C)(C)C)CC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ GRIN3A Q8TCU5 1/20 0.46
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL16565570 0.84 TSHR (0.55) HTR2AHTR2CKMT2ATSHRSMN1; SMN2
SCHEMBL21078010 0.82 HTR2A (0.42) HTR2AHTR2CKMT2ATSHRSMN1; SMN2
SCHEMBL28077641 0.80 TSHR (0.44) HTR2AHTR2CKMT2ATSHRSMN1; SMN2
SCHEMBL16565507 0.78 RORC (0.47) TSHR
SCHEMBL16565682 0.76 KMT2A (0.43) OPRM1HTR2AHTR2CKMT2ATSHR
Hydrochloric Acid SCHEMBL16553822 0.75 KMT2A (0.42) OPRM1HTR2AHTR2CKMT2ATSHR
SCHEMBL17867827 0.74 SMN1; SMN2 (0.37) HTR2AHTR2CKMT2ATSHRSMN1; SMN2
SCHEMBL16553894 0.72 GRIN2D (0.47) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL681675 0.70 POLB (0.66) KMT2ATSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL12563431 0.70 GRIN2D (0.44) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 — — US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
EP-3041841-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2016-07-13 — — EP disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 — — 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 (4 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 GRIN2D 659/4885GRIN3B 991/4885CHRM2 2296/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 GRIN2D 659/4885GRIN3B 991/4885CHRM2 2296/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 GRIN2D 1456/4885GRIN3B 1935/4885CHRM2 515/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 GRIN2D 659/4885GRIN3B 991/4885CHRM2 2296/4885

“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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