SCHEMBL24373774

SCHEMBL24373774

Cc1ccc2[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.84
NPC1 O15118 4/20 0.76
RAB9A P51151 4/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
ALDH1A1 P00352 1/20 0.76
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP13 P45452 1/20 0.61
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
MAPT P10636 1/20 0.57
PKM P14618 2/20 0.53
OPRK1 P41145 1/20 0.53
KLF5 Q13887 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL25956596 0.91 IRAK4 (0.83) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3595615 0.88 IRAK4 (1.00) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25956583 0.87 IRAK4 (0.84) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25956581 0.87 IRAK4 (0.84) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3597174 0.86 IRAK4 (1.00) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25956589 0.86 IRAK4 (0.85) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25967687 0.86 IRAK4 (0.85) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3597530 0.85 IRAK4 (0.70) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25956603 0.83 IRAK4 (1.00) IRAK4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25956604 0.83 IRAK4 (0.78) 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 5 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-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
WO-2022087216-A1 DOUBLE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-04-28 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 (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.