SCHEMBL23946136

SCHEMBL23946136

COc1cc2c(=O)n(C)ccc2cc1I

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 5/20 0.46
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
PSMB5 P28074 6/20 0.39
PSMB2 P49721 6/20 0.39
PSMB1 P20618 5/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CREBBP Q92793 1/20 0.36
GSK3B P49841 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL16328854 0.87 TNF (0.53) TNFLMNAMAPTCYP2C9PSMB5
SCHEMBL3768022 0.81 TNF (0.46) TNFLMNAMAPTCYP2C9MEN1
SCHEMBL25219017 0.81 TNF (0.43) TNFLMNAMAPTCYP2C9PSMB5
SCHEMBL25422253 0.79 TNF (0.45) TNFLMNAMAPTCYP2C9PSMB5
SCHEMBL29379768 0.79 TNF (0.45) TNFLMNAMAPTCYP2C9PSMB5
SCHEMBL30186329 0.78 TNF (0.43) TNFLMNAMAPTCYP2C9PSMB5
SCHEMBL3770428 0.78 TNF (0.46) TNFLMNAMAPTCYP2C9PSMB5
SCHEMBL16431670 0.78 TNF (0.43) TNFLMNAMAPTCYP2C9PSMB5
SCHEMBL23946037 0.78 LMNA (0.54) TNFLMNAMAPTCYP2C9ALDH1A1
SCHEMBL21069700 0.78 ALDH1A1 (0.58) TNFLMNAMAPTCYP2C9PSMB5

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-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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 (2 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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 TNF 172/4885LMNA 1656/4885MAPT 2459/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TNF 172/4885LMNA 1656/4885MAPT 2459/4885

“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.