SCHEMBL25956570

SCHEMBL25956570

O=C(Nc1nc2ccccc2[nH]1)c1cccc(-c2ccc(F)c([N+](=O)[O-])c2)c1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 7/20 0.81
▸ NPC1 O15118 10/20 0.66
▸ RAB9A P51151 10/20 0.66
▸ SMN1; SMN2 Q16637 7/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ KMT2A Q03164 5/20 0.63
▸ MAPT P10636 2/20 0.63
▸ MCL1 Q07820 1/20 0.63
▸ MEN1 O00255 4/20 0.59
▸ PKM P14618 2/20 0.55
▸ MAOB P27338 1/20 0.55
▸ ADORA2A P29274 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54

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
SCHEMBL25956571 0.88 IRAK4 (0.81) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3597174 0.80 IRAK4 (1.00) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8306838 0.80 SMN1; SMN2 (0.81) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11703862 0.78 NPC1 (0.83) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28376966 0.77 NPC1 (0.74) IRAK4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2248250 0.75 NPC1 (1.00) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16562030 0.74 NPC1 (1.00) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11703126 0.74 NPC1 (0.79) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11705316 0.73 NPC1 (0.83) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL25956603 0.73 IRAK4 (1.00) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 — — US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 — — US disclosed
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 — — 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 (3 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-20230132715-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885NPC1 3159/4885RAB9A 4270/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 IRAK4 4/4885NPC1 3159/4885RAB9A 4270/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885NPC1 3159/4885RAB9A 4270/4885

“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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