SCHEMBL9918696

SCHEMBL9918696

CC1(C)OB(C2=CC(C(CC#N)C3CC3)=CC2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ ESR2 Q92731 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
SCHEMBL9918694 0.75 P2RX7 (0.33) P2RX7
SCHEMBL12066250 0.71 ESR2 (0.32) ESR2
SCHEMBL12067269 0.70 ESR2 (0.32) ESR2
SCHEMBL2574150 0.64 FFAR1 (0.41) ESR2
SCHEMBL3007188 0.63 JAK2 (0.46) ESR2
SCHEMBL1612365 0.63 JAK2 (0.46) ESR2
SCHEMBL3707774 0.63 JAK2 (0.43) ESR2
SCHEMBL1612367 0.63 JAK2 (0.46) ESR2
SCHEMBL18569196 0.60 P2RX7 (0.44) P2RX7MAPK1
SCHEMBL2594451 0.59 P2RX7 (0.47) P2RX7MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — 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 (2 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 P2RX7 2858/4885MAPK1 15/4885ESR2 4709/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 P2RX7 2680/4885MAPK1 17/4885ESR2 4635/4885

“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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