SCHEMBL20967693

SCHEMBL20967693

COc1cc2c(=O)[nH]c3c4cc[nH]c4ncc3c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.54
JAK3 P52333 19/20 0.54
JAK2 O60674 18/20 0.54
TYK2 P29597 18/20 0.54
NUAK1 O60285 1/20 0.48
NTRK1 P04629 1/20 0.48
FLT3 P36888 1/20 0.48
NUAK2 Q9H093 1/20 0.48
BMP2K Q9NSY1 1/20 0.48

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
SCHEMBL14697181 0.74 TYMP (0.49) JAK1JAK3JAK2TYK2
Hydrochloric Acid SCHEMBL14697453 0.73 TYMP (0.47) JAK1JAK3JAK2TYK2
SCHEMBL20944577 0.70 JAK1 (1.00) JAK1JAK3JAK2TYK2NUAK1
SCHEMBL20944563 0.70 JAK1 (1.00) JAK1JAK3JAK2TYK2NUAK1
SCHEMBL20944727 0.70 JAK1 (1.00) JAK1JAK3JAK2TYK2NUAK1
SCHEMBL13075337 0.70 CYP1A1 (0.39)
SCHEMBL20944674 0.69 JAK2 (1.00) JAK1JAK3JAK2TYK2NUAK1
SCHEMBL20944732 0.69 JAK2 (1.00) JAK1JAK3JAK2TYK2NUAK1
SCHEMBL20944621 0.69 JAK1 (1.00) JAK1JAK3JAK2TYK2NUAK1
SCHEMBL20944556 0.69 JAK1 (0.84) JAK1JAK3JAK2TYK2NUAK1

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-10399979-B2 Janus kinase inhibitors and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-03 US disclosed
US-20190127377-A1 JANUS KINASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2019-05-02 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-20190127377-A1 JANUS KINASE INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 JAK1 2/4885JAK3 3/4885JAK2 1/4885
US-10399979-B2 Janus kinase inhibitors and uses thereof JAK2, JAK1, JAK3 JAK1 2/4885JAK3 3/4885JAK2 1/4885

“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.