SCHEMBL21328545

SCHEMBL21328545

O=C(O)N[C@H]1CC[C@H](C(=O)Nc2ccc(NC(=O)c3cccc(Br)n3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.46
GRM5 P41594 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL21328546 1.00 ACKR3 (0.46) ACKR3GRM5MEN1KMT2AMAPT
SCHEMBL23860688 0.88 GRM5 (0.51) ACKR3GRM5POLBNPC1RAB9A
SCHEMBL21328549 0.88 GRM5 (0.51) ACKR3GRM5POLBNPC1RAB9A
SCHEMBL21328550 0.87 MEN1 (0.47) GRM5MEN1KMT2APOLBNPC1
SCHEMBL21328551 0.87 MEN1 (0.47) GRM5MEN1KMT2APOLBNPC1
SCHEMBL20206160 0.87 ACKR3 (0.43) ACKR3GRM5MEN1KMT2AMAPT
SCHEMBL21328547 0.87 ACKR3 (0.43) ACKR3GRM5MEN1KMT2AMAPT
SCHEMBL20206222 0.84 ACKR3 (0.47) ACKR3GRM5MEN1KMT2AGAA
SCHEMBL21328548 0.79 GRM5 (0.51) GRM5MEN1KMT2APOLBKDM4E
SCHEMBL20189793 0.79 POLB (0.62) GRM5MEN1KMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544970-B1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-11-17 EP disclosed
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-13 US disclosed
US-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 US disclosed
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-12 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-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 ACKR3 197/4885GRM5 2859/4885MEN1 1933/4885
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof IRAK1, IRAK4, IRAK2 ACKR3 197/4885GRM5 2859/4885MEN1 1933/4885
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 ACKR3 197/4885GRM5 2859/4885MEN1 1933/4885

“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.