SCHEMBL20004133

SCHEMBL20004133

CC(C)N1C(C)CCCCCC1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
MGLL Q99685 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
EPHX2 P34913 1/20 0.30

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
SCHEMBL17774459 0.92 MGLL (0.41) RECQLMGLLTDP1TSHRACHE
SCHEMBL12197812 0.92 MGLL (0.41) RECQLMGLLTDP1TSHRACHE
SCHEMBL12110731 0.92 MGLL (0.41) RECQLMGLLTDP1TSHRACHE
SCHEMBL19529349 0.85 PHGDH (0.36)
SCHEMBL4733461 0.85 PHGDH (0.36)
SCHEMBL19754762 0.85 PHGDH (0.36)
SCHEMBL14375477 0.85 PHGDH (0.36)
SCHEMBL13910202 0.77 OPRK1 (0.31) GAAPKMTDP1
SCHEMBL18364683 0.75 MGLL (0.34) MGLLACHE
SCHEMBL24250677 0.73

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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 RECQL 929/4885MGLL 4314/4885GAA 2777/4885

“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.