SCHEMBL21214468

SCHEMBL21214468

CC(C)NCCN1CC(C)OC(C)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.47
▸ EBP Q15125 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ LMNA P02545 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
SCHEMBL13659614 1.00 SIGMAR1 (0.47) SIGMAR1EBPKDM4EALDH1A1TSHR
SCHEMBL19226525 0.89 SIGMAR1 (0.53) SIGMAR1EBPKDM4EALDH1A1TSHR
SCHEMBL19226608 0.78 USP2 (0.36) KDM4EALDH1A1TSHRPOLBKMT2A
SCHEMBL18774761 0.78 USP2 (0.36) KDM4EALDH1A1TSHRPOLBKMT2A
SCHEMBL18774762 0.78 USP2 (0.36) KDM4EALDH1A1TSHRPOLBKMT2A
SCHEMBL24134163 0.78 SIGMAR1 (0.52) SIGMAR1EBPKDM4EKMT2AMEN1
SCHEMBL17888412 0.78 SIGMAR1 (0.52) SIGMAR1EBPKDM4EKMT2AMEN1
SCHEMBL14996110 0.78 SIGMAR1 (0.52) SIGMAR1EBPKDM4EKMT2AMEN1
SCHEMBL18233582 0.76 DPP4 (0.33) —
SCHEMBL20551208 0.76 SIGMAR1 (0.50) SIGMAR1EBPKDM4EALDH1A1TDP1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885EBP 3909/4885KDM4E 1708/4885

“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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