SCHEMBL4407528

SCHEMBL4407528

CCOC(=O)C(C#N)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
JAK2 O60674 7/20 0.45
JAK1 P23458 7/20 0.45
TACR1 P25103 1/20 0.44
APP P05067 2/20 0.41
OPRM1 P35372 1/20 0.41
CCR5 P51681 1/20 0.41

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
SCHEMBL3530835 0.92 GPR119 (0.42) JAK2JAK1OPRM1
SCHEMBL3523767 0.90 JAK1 (0.45) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL16554255 0.90 MEN1 (0.44) OPRD1OPRK1JAK2JAK1APP
SCHEMBL4405768 0.90 JAK2 (0.47) JAK2JAK1OPRM1
SCHEMBL3526640 0.89 NPC1 (0.44) TSHRALOX15ATMJAK2JAK1
SCHEMBL3523742 0.88 TP53 (0.46) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL5916161 0.88 GPR119 (0.45) TSHRALOX15ATMOPRD1JAK2
SCHEMBL16565388 0.88 TSHR (0.53) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL2636236 0.88 APP (0.46) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL3526220 0.88 KMT2A (0.43) TSHRALOX15ATMOPRD1OPRK1

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
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-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 EP disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 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-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 TSHR 40/4885ALOX15 4288/4885ATM 3525/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 TSHR 2621/4885ALOX15 2649/4885ATM 1089/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 TSHR 760/4885ALOX15 2690/4885ATM 320/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 TSHR 2621/4885ALOX15 2649/4885ATM 1089/4885

“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.