SCHEMBL22792575

SCHEMBL22792575

CCc1ccn2cncc2c1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.39
TBXAS1 P24557 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
QPCT Q16769 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
TDO2 P48775 2/20 0.32
SRC P12931 1/20 0.32
GABRA5 P31644 1/20 0.32
LCK P06239 1/20 0.32

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
SCHEMBL22792404 0.78 IDO1 (0.42) IDO1TBXAS1TNKSTNKS2QPCT
SCHEMBL23065942 0.73 TBXAS1 (0.57) IDO1TBXAS1TNKSTNKS2QPCT
SCHEMBL13271311 0.69 TBXAS1 (0.47) IDO1TBXAS1QPCTQPCTLTDO2
SCHEMBL22793032 0.68 IDO1 (0.42) IDO1TBXAS1TNKSTNKS2QPCT
SCHEMBL24656778 0.67 KDM5A (0.36) IDO1TBXAS1
SCHEMBL12698776 0.67 QPCT (0.51) IDO1TBXAS1QPCTQPCTLTDO2
SCHEMBL22792984 0.66 TNKS (0.33) TNKSTNKS2
SCHEMBL20689814 0.66 QPCT (0.46) IDO1TBXAS1TNKSTNKS2QPCT
SCHEMBL24656099 0.66 TBXAS1 (0.50) IDO1TBXAS1TNKSTNKS2QPCT
SCHEMBL21718777 0.65 QPCT (0.42) IDO1TBXAS1TNKSTNKS2QPCT

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-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 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-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ IDO1 1490/4885TBXAS1 1358/4885TNKS 2087/4885

“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.