SCHEMBL21649903

SCHEMBL21649903

O=C(N/N=C/c1nccc2ccccc12)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCOA3 Q9Y6Q9 1/20 0.64
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ NPC1 O15118 5/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ PAX8 Q06710 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ GCGR P47871 1/20 0.52
▸ RRM1 P23921 1/20 0.51
▸ KLF5 Q13887 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ G6PD P11413 1/20 0.50
▸ ASF1A Q9Y294 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48

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
SCHEMBL21633886 0.90 RAB9A (0.60) NCOA3MEN1KMT2ARAB9ANPC1
SCHEMBL21633885 0.90 RAB9A (0.60) NCOA3MEN1KMT2ARAB9ANPC1
SCHEMBL24023673 0.80 NCOA3 (0.56) NCOA3MEN1KMT2ARAB9ANPC1
SCHEMBL13380986 0.79 NCOA3 (0.77) NCOA3KMT2ARRM1G6PDKDM4E
SCHEMBL29773648 0.78 NCOA3 (1.00) NCOA3LMNAATMRRM1ALDH1A1
SCHEMBL31237388 0.78 NCOA3 (1.00) NCOA3LMNAATMRRM1ALDH1A1
SCHEMBL782069 0.78 NCOA3 (1.00) NCOA3LMNAATMRRM1ALDH1A1
SCHEMBL13927328 0.78 NCOA3 (1.00) NCOA3LMNAATMRRM1ALDH1A1
SCHEMBL32675200 0.77 GCGR (0.82) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL30826056 0.77 GCGR (0.82) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2021-11-18 — — US disclosed
WO-2020023802-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE (US) 2020-01-30 — — 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-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARN NCOA3 1390/4885MEN1 1270/4885KMT2A 905/4885

“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.

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