SCHEMBL27039655

SCHEMBL27039655

N#Cc1cc2cn[nH]c2nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TRPA1 O75762 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
IDO1 P14902 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHUK O15111 1/20 0.37
NOS1 P29475 2/20 0.36
DYRK1A Q13627 1/20 0.36
CSNK1A1 P48729 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL30726288 1.00 KHK (0.44) KHKSMN1; SMN2ALDH1A1TRPA1NPSR1
SCHEMBL27039630 0.79 KDM4E (0.47) KHKSMN1; SMN2ALDH1A1TRPA1TDP1
SCHEMBL30726426 0.79 KDM4E (0.47) KHKSMN1; SMN2ALDH1A1TRPA1TDP1
SCHEMBL22749648 0.75 NOS1 (0.41) ALDH1A1TRPA1NOS1DYRK1AKDM4E
SCHEMBL33527188 0.74 KHK (0.42) KHKSMN1; SMN2ALDH1A1TRPA1NPSR1
SCHEMBL1474051 0.74 RIPK1 (0.43) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL1981821 0.74 TRPA1 (0.48) ALDH1A1TRPA1CYP1A2CYP2C9CYP2C19
SCHEMBL566209 0.74 KHK (0.57) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL11574647 0.72 TRPA1 (0.54) ALDH1A1TRPA1CYP1A2CYP2C9CYP2C19
SCHEMBL21856831 0.72 AXL (0.41) ALDH1A1TRPA1NOS1DYRK1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558495-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 Bristol-Myers Squibb Company (US) 2025-05-28 EP disclosed
US-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 US disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 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 (1 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-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 IRAK4, IRAK2, IRAK3 KHK 2392/4885SMN1; SMN2 1756/4885ALDH1A1 3457/4885

“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.