SCHEMBL21997146

SCHEMBL21997146

N#Cc1nc(NC2CCC(O)CC2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 6/20 0.65
ACP1 P24666 3/20 0.53
TLR7 Q9NYK1 3/20 0.51
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
CYP2D6 P10635 3/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
PDE5A O76074 2/20 0.48
OGG1 O15527 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 3/20 0.46
USP2 O75604 2/20 0.46

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
SCHEMBL31016444 0.79 NSD2 (1.00) NSD2PDE5AGBA1
SCHEMBL21998135 0.79 NSD2 (0.62) NSD2ACP1TLR7CYP1A2CLK4
SCHEMBL3451534 0.73 NSD2 (0.60) NSD2
SCHEMBL15986607 0.72 GBA1 (0.88) ACP1GBA1
SCHEMBL27393844 0.71 CYP1A2 (0.65) ACP1TLR7CYP1A2CYP3A4CLK4
SCHEMBL17544631 0.71 ACP1 (0.65) ACP1TLR7CYP1A2CYP3A4CLK4
Hydrochloric Acid SCHEMBL6039631 0.70 NPY5R (0.74)
Hydrochloric Acid SCHEMBL6039450 0.70 NPY5R (0.74)
SCHEMBL14518061 0.70 EPHX1 (0.54) NSD2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4867358 0.70 ACP1 (1.00) ACP1CYP1A2CYP3A4CLK4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
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
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 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 (5 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-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NSD2 1315/4885ACP1 681/4885TLR7 16/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NSD2 1315/4885ACP1 681/4885TLR7 16/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NSD2 1315/4885ACP1 681/4885TLR7 16/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NSD2 1315/4885ACP1 681/4885TLR7 16/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NSD2 1315/4885ACP1 681/4885TLR7 16/4885

“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.