SCHEMBL5353096

SCHEMBL5353096

CC(C)(C)OC(=O)Nc1nonc1-c1nnc(N)o1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PSMB8 P28062 1/20 0.34
TSHR P16473 2/20 0.33
CTSK P43235 4/20 0.32
CTSS P25774 3/20 0.32
CTSL P07711 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATR Q13535 3/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
CYP17A1 P05093 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5670929 0.79 TSHR (0.38) TSHRKDM4EKMT2AHTTSMN1; SMN2
SCHEMBL14710823 0.75 TSHR (0.48) PSMB8TSHRKMT2ASMN1; SMN2
SCHEMBL14790552 0.70 MAPT (0.54) TSHRNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL14710786 0.70 TSHR (0.48) PSMB8TSHRKMT2ASMN1; SMN2
SCHEMBL31171492 0.69 SMN1; SMN2 (0.36) CA1CA2PSMB8TSHRNPC1
SCHEMBL29159120 0.69 STAT5B (0.37) CA1CA2PSMB8NPC1RAB9A
SCHEMBL14592182 0.69 CA1 (0.36) CA1CA2PSMB8NPC1RAB9A
SCHEMBL14710784 0.67 TSHR (0.44) TSHRKDM4ENPC1RAB9AKMT2A
SCHEMBL5354897 0.65 GLA (0.38) TSHRKDM4EHTTSMN1; SMN2
SCHEMBL31171566 0.65 KMT2A (0.36) CA1CA2PSMB8TSHRCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
EP-1660467-A2 AMINOFURAZAN COMPOUNDS AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-05-31 EP disclosed
US-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005019190-A2 (4 -AMINO -1,2, 5-OXADIAZOL-4-YL) -HETΞROAROMATIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-03 WO 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-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors PHKG1, MAP3K20, MAP3K5 CA1 4421/4885CA2 3044/4885PSMB8 4406/4885

“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.