SCHEMBL25489494

SCHEMBL25489494

N#Cc1nc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.49
▸ KDR P35968 1/20 0.48
▸ MAPT P10636 6/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MMP13 P45452 2/20 0.45
▸ POLB P06746 3/20 0.44
▸ ACHE P22303 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MITF O75030 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SCD O00767 1/20 0.43

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
SCHEMBL14693849 0.83 NPC1 (0.55) NPC1KDRMAPTALDH1A1MEN1
SCHEMBL29030365 0.76 ABCG2 (0.49) NPC1KDRMAPTALDH1A1MEN1
SCHEMBL20488395 0.76 RECQL (0.55) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL30665825 0.76 RECQL (0.55) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL30492667 0.72 MAPT (0.65) NPC1KDRMAPTALDH1A1MEN1
SCHEMBL30492664 0.72 MAPT (0.65) NPC1KDRMAPTALDH1A1MEN1
SCHEMBL11469609 0.72 MAPT (0.65) NPC1KDRMAPTALDH1A1MEN1
SCHEMBL7375875 0.72 HTT (0.60) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL14693730 0.71 MEN1 (0.49) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL18585233 0.71 MEN1 (0.64) NPC1KDRMAPTALDH1A1MEN1

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-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-18 — — 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-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG NPC1 4014/4885KDR 1117/4885MAPT 4276/4885

“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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