SCHEMBL21709440

SCHEMBL21709440

c1ccc(-c2nc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.45
ALOX5 P09917 2/20 0.43
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
CSF1R P07333 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ADORA2A P29274 1/20 0.36
GGPS1 O95749 1/20 0.36
PRKDC P78527 3/20 0.36
SCN9A Q15858 2/20 0.35
ATM Q13315 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
GAA P10253 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL21709422 0.88 KMT2A (0.48) NUDT1ALOX5MEN1KMT2AMAPT
SCHEMBL21709441 0.87 NUDT1 (0.37) NUDT1ALOX5GGPS1PRKDCSCN9A
SCHEMBL17752663 0.86 ALOX5 (0.43) NUDT1ALOX5MEN1KMT2AMAPT
SCHEMBL21709296 0.85 NUDT1 (0.35) NUDT1ALOX5
SCHEMBL21709369 0.84 NUDT1 (0.36) NUDT1ALOX5SCN9A
SCHEMBL16648205 0.83 MEN1 (0.48) NUDT1ALOX5MEN1KMT2AMAPT
SCHEMBL17752415 0.82 ALOX5 (0.42) NUDT1ALOX5MEN1KMT2AMAPT
SCHEMBL22483263 0.81 ALOX5 (0.52) ALOX5MEN1KMT2AMAPTCSF1R
SCHEMBL25132623 0.81 ALOX5 (0.55) ALOX5MEN1KMT2AMAPTCSF1R
SCHEMBL21131445 0.81 ALOX5 (0.55) ALOX5MEN1KMT2AMAPTCSF1R

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 3104/4885MEN1 2014/4885

“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.