SCHEMBL16565682

SCHEMBL16565682

CN(C1(C)CCNCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTR2C P28335 3/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR6 P50406 2/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36

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
Hydrochloric Acid SCHEMBL16553822 0.98 KMT2A (0.42) KMT2AKDM4EMEN1ALDH1A1HTR2C
SCHEMBL16565570 0.79 TSHR (0.55) KMT2AKDM4EMEN1ALDH1A1HTR2C
SCHEMBL21078010 0.78 HTR2A (0.42) KMT2AKDM4EMEN1ALDH1A1HTR2C
SCHEMBL28077641 0.76 TSHR (0.44) KMT2AKDM4EALDH1A1HTR2CHSD11B1
SCHEMBL16553664 0.76 GRIN2D (0.46) KMT2AKDM4EMEN1ALDH1A1HTR2C
SCHEMBL18422868 0.73 HTR2C (0.42) KMT2AKDM4EMEN1ALDH1A1HTR2C
SCHEMBL17861580 0.70 OPRM1 (0.44) KMT2AMEN1ALDH1A1HTR2CHTR2B
Hydrochloric Acid SCHEMBL17848486 0.69 OPRM1 (0.42) KMT2AMEN1ALDH1A1HTR2CHTR2B
SCHEMBL3485687 0.69 ALDH1A1 (0.71) KMT2AKDM4EMEN1ALDH1A1HTR2C
SCHEMBL19226577 0.69 PARG (0.50) ALDH1A1HTR6

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 8 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-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
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US 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 (3 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 KMT2A 1797/4885KDM4E 1708/4885MEN1 2118/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KMT2A 1797/4885KDM4E 1708/4885MEN1 2118/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KMT2A 1797/4885KDM4E 1708/4885MEN1 2118/4885

“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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