SCHEMBL22902800

SCHEMBL22902800

COc1cccc2cc(C(N)=O)c3nc(C)cn3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
PARP1 P09874 5/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 2/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL28729757 0.89 KDM4E (0.49) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL28728941 0.86 ADORA2A (0.44) ADORA2AADORA2BADORA1JAK2JAK1
SCHEMBL22902724 0.85 MAPT (0.45) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL29522713 0.85 MAPT (0.45) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL22902460 0.84 ADORA2A (0.42) ADORA2AADORA2BADORA1JAK2JAK1
SCHEMBL29790088 0.84 ADORA2A (0.42) ADORA2AADORA2BADORA1JAK2JAK1
SCHEMBL22902568 0.84 PARP1 (0.41) ADORA2AADORA2BADORA1ALDH1A1HSD17B10
SCHEMBL29522879 0.83 GAA (0.46) ADORA2AADORA2BADORA1KMT2AKDM4E
SCHEMBL22902841 0.83 GAA (0.46) ADORA2AADORA2BADORA1KMT2AKDM4E
SCHEMBL22902774 0.81 ADORA2A (0.45) ADORA2AADORA2BADORA1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-29 US disclosed
CN-114423757-B Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 CN disclosed
EP-3999508-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
EP-3999508-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
US-20220259205-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-08-18 US disclosed
EP-3999508-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-05-25 EP disclosed
CN-114423757-A Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-04-29 CN disclosed
WO-2021011724-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-01-21 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 (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-20220259205-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS IRAK4, IRAK1, IRAK3 ADORA2A 2175/4885ADORA2B 2455/4885ADORA1 1365/4885
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors IRAK4, IRAK1, IRAK3 ADORA2A 2175/4885ADORA2B 2455/4885ADORA1 1365/4885

“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.