SCHEMBL21998135

SCHEMBL21998135

N#Cc1nc(NC2CCC(N3CCNCC3)CC2)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 8/20 0.62
TLR7 Q9NYK1 2/20 0.53
CCR4 P51679 1/20 0.49
ACP1 P24666 1/20 0.45
CYP1A2 P05177 4/20 0.45
CLK4 Q9HAZ1 2/20 0.45
HSD17B10 Q99714 1/20 0.45
IRAK4 Q9NWZ3 3/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
WHR1 P49842 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL21997146 0.79 NSD2 (0.65) NSD2TLR7ACP1CYP1A2CLK4
SCHEMBL17209397 0.78 IRAK4 (0.56) IRAK4
SCHEMBL31016444 0.76 NSD2 (1.00) NSD2WHR1EHMT2
SCHEMBL19179720 0.71 IRAK4 (0.84) CLK4IRAK4
SCHEMBL19179721 0.71 IRAK4 (0.84) CLK4IRAK4
SCHEMBL23807760 0.68 IRAK4 (0.55) CLK4IRAK4
SCHEMBL21996736 0.68 IRAK4 (0.55) CLK4IRAK4
SCHEMBL22201472 0.68 GBA1 (0.65) TLR7ACP1CYP1A2CLK4HSD17B10
SCHEMBL20389878 0.67 CYP1A2 (0.62) TLR7ACP1CYP1A2CLK4HSD17B10
SCHEMBL17209402 0.66 IRAK4 (0.65) CCR4IRAK4

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 1315/4885TLR7 16/4885CCR4 984/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NSD2 1315/4885TLR7 16/4885CCR4 984/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NSD2 1315/4885TLR7 16/4885CCR4 984/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NSD2 1315/4885TLR7 16/4885CCR4 984/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NSD2 1315/4885TLR7 16/4885CCR4 984/4885

“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.