SCHEMBL17796356

SCHEMBL17796356

Cn1nc(N)cc1C=NO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RET P07949 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL17796355 1.00 POLB (0.37) POLBCYP2C19RETHTTSMN1; SMN2
SCHEMBL972122 0.78 POLB (0.38) POLBCYP2C19HTTSMN1; SMN2KDM4E
SCHEMBL972124 0.78 POLB (0.38) POLBCYP2C19HTTSMN1; SMN2KDM4E
SCHEMBL17796722 0.74 ALDH1A1 (0.34) POLBCYP2C19HTTSMN1; SMN2KDM4E
SCHEMBL17796721 0.74 ALDH1A1 (0.34) POLBCYP2C19HTTSMN1; SMN2KDM4E
SCHEMBL14108169 0.74 — —
SCHEMBL20419546 0.69 KDM4E (0.42) KDM4EALDH1A1
SCHEMBL12569915 0.66 — —
SCHEMBL19992372 0.65 — —
SCHEMBL18529372 0.64 — —

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-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 — — US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 — — EP 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-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA POLB 3483/4885CYP2C19 3337/4885RET 825/4885

“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.

Send feedback