SCHEMBL20004243

SCHEMBL20004243

CCCCCCCCC(CCCCCCC)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 13/20 0.46
GNAI3 P08754 12/20 0.46
GNAI1 P63096 12/20 0.46
EPHX1 P07099 1/20 0.39

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
SCHEMBL20626600 1.00 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL20306106 1.00 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL18922334 1.00 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL18557836 1.00 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL20093568 1.00 GNAO1 (0.46) GNAO1GNAI3GNAI1EPHX1
SCHEMBL23709640 0.98 GNAO1 (0.44) GNAO1GNAI3GNAI1EPHX1
SCHEMBL20004213 0.98 GNAO1 (0.44) GNAO1GNAI3GNAI1EPHX1
SCHEMBL19772438 0.96 GNAO1 (0.43) GNAO1GNAI3GNAI1EPHX1
SCHEMBL21703732 0.96 GNAO1 (0.42) GNAO1GNAI3GNAI1EPHX1
SCHEMBL25018587 0.94 GNAO1 (0.41) GNAO1GNAI3GNAI1EPHX1

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 GNAO1 1925/4885GNAI3 2275/4885GNAI1 1343/4885

“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.