SCHEMBL19666972

SCHEMBL19666972

Nc1cncn2cncc12

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
QPCT Q16769 1/20 0.30
QPCTL Q9NXS2 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
SCHEMBL334311 0.75 IDO1 (0.47) IDO1QPCTQPCTL
SCHEMBL400015 0.72 IDO1 (0.32) IDO1
SCHEMBL399396 0.66 NUDT1 (0.48) IDO1QPCTQPCTL
SCHEMBL22281989 0.65 JAK3 (0.47)
SCHEMBL21672758 0.64 TNKS (0.37) IDO1QPCTQPCTL
SCHEMBL17896045 0.63 ADORA1 (0.39) IDO1
SCHEMBL31586210 0.63 IDO1 (0.44) IDO1QPCTQPCTL
SCHEMBL5492666 0.62 GAA (0.35) IDO1
SCHEMBL20299311 0.61 SMPD3 (0.37) IDO1
SCHEMBL26328071 0.60 TNKS (0.32) IDO1QPCTQPCTL

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-20170349593-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-07 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-20170349593-A1 BTK INHIBITORS BTK, SYK, LYN IDO1 1115/4885QPCT 1779/4885QPCTL 2930/4885

“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.