SCHEMBL17867827

SCHEMBL17867827

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ HSD11B1 P28845 3/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL28077641 0.79 TSHR (0.44) SMN1; SMN2TSHRHTR2AHTR2CKMT2A
SCHEMBL17867856 0.76 PARG (0.36) MAPTHSD11B1KDM4E
SCHEMBL18428470 0.74 GPR119 (0.34) SMN1; SMN2
SCHEMBL16553664 0.74 GRIN2D (0.46) SMN1; SMN2TSHRHTR2AHTR2CKMT2A
SCHEMBL18428479 0.74 — —
SCHEMBL21078010 0.73 HTR2A (0.42) SMN1; SMN2TSHRHTR2AHTR2CKMT2A
SCHEMBL16565507 0.72 RORC (0.47) TSHRMGLL
SCHEMBL16565570 0.72 TSHR (0.55) SMN1; SMN2TSHRHTR2AHTR2CKMT2A
SCHEMBL18428455 0.71 ALDH1A1 (0.38) SMN1; SMN2TSHRKMT2AMEN1MAPT
SCHEMBL17262595 0.70 MEN1 (0.36) SMN1; SMN2TSHRKMT2AMEN1MAPT

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 6 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
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 — — EP disclosed
US-20180298033-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-18 — — 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — 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 (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 SMN1; SMN2 3249/4885TSHR 2621/4885HTR2A 2521/4885
US-20180298033-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SMN1; SMN2 3249/4885TSHR 2621/4885HTR2A 2521/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SMN1; SMN2 3249/4885TSHR 2621/4885HTR2A 2521/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SMN1; SMN2 3249/4885TSHR 2621/4885HTR2A 2521/4885

“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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