SCHEMBL21709441

SCHEMBL21709441

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3nc(-c4ccccc4)c4ccccc4n3)cc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.37
ALOX5 P09917 2/20 0.36
PRKDC P78527 1/20 0.33
GGPS1 O95749 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
SCN9A Q15858 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
SCHEMBL21709370 0.88 ALOX5 (0.34) NUDT1ALOX5PRKDC
SCHEMBL21709369 0.87 NUDT1 (0.36) NUDT1ALOX5SCN9A
SCHEMBL21709440 0.87 NUDT1 (0.45) NUDT1ALOX5PRKDCGGPS1JAK2
SCHEMBL24801448 0.86 NUDT1 (0.32) NUDT1
SCHEMBL9916956 0.86 ALOX5 (0.44) ALOX5PRKDCGGPS1
SCHEMBL9916517 0.86 ALOX5 (0.44) ALOX5PRKDCGGPS1
SCHEMBL6372706 0.86 ALOX5 (0.44) ALOX5PRKDCGGPS1
SCHEMBL9916507 0.86 ALOX5 (0.44) ALOX5PRKDCGGPS1
SCHEMBL30907081 0.86 ALOX5 (0.44) ALOX5PRKDCGGPS1
SCHEMBL9916513 0.86 ALOX5 (0.44) ALOX5PRKDCGGPS1

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-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES MERCK PATENT GMBH (DE) 2020-02-13 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-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES DDT, NAT1, INMT NUDT1 15/4885ALOX5 3104/4885PRKDC 1464/4885

“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.