SCHEMBL16355459

SCHEMBL16355459

Nc1c[nH]c2cc(Br)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.55
▸ CLK1 P49759 2/20 0.50
▸ CDK5 Q00535 2/20 0.50
▸ CDK5R1 Q15078 2/20 0.50
▸ PDPK1 O15530 2/20 0.50
▸ JAK2 O60674 2/20 0.50
▸ IMPDH2 P12268 1/20 0.50
▸ CCNB2 O95067 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CCNB1 P14635 1/20 0.50
▸ PRKACA P17612 1/20 0.50
▸ PRKACG P22612 1/20 0.50
▸ PRKACB P22694 1/20 0.50
▸ CSNK1A1 P48729 1/20 0.50
▸ CSNK1D P48730 1/20 0.50
▸ CSNK1E P49674 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ CSNK1G2 P78368 1/20 0.50
▸ CCNB3 Q8WWL7 1/20 0.50
▸ CSNK1G1 Q9HCP0 1/20 0.50

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
SCHEMBL30121389 1.00 CYP2A6 (0.55) CYP2A6CLK1CDK5CDK5R1PDPK1
SCHEMBL3631962 0.83 GPR84 (0.58) CLK1CDK5CDK5R1PDPK1JAK2
Hydrochloric Acid SCHEMBL23168012 0.82 GPR84 (0.56) CLK1CDK5CDK5R1PDPK1JAK2
SCHEMBL30019124 0.78 CYP2A6 (0.58) CYP2A6CLK1CDK5CDK5R1PDPK1
SCHEMBL20354748 0.75 CYP2A6 (0.55) CYP2A6CLK1CDK5CDK5R1PDPK1
SCHEMBL22128417 0.75 CYP2A6 (0.55) CYP2A6CLK1CDK5CDK5R1PDPK1
SCHEMBL21291503 0.75 CYP2A6 (0.55) CYP2A6CLK1CDK5CDK5R1PDPK1
SCHEMBL22777931 0.75 CYP2A6 (0.55) CYP2A6CLK1CDK5CDK5R1PDPK1
SCHEMBL2804219 0.75 CYP2A6 (0.55) CYP2A6CLK1CDK5CDK5R1PDPK1
SCHEMBL14454516 0.75 HTR2A (0.56) HTR2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421230-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-23 — — US disclosed
CN-115335380-B Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-08-02 — — CN disclosed
EP-4100408-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-02-28 — — EP disclosed
EP-4100408-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-02-28 — — EP disclosed
US-20230114683-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-04-13 — — US disclosed
EP-4100408-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-12-14 — — EP disclosed
CN-115335380-A Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-11-11 — — CN disclosed
WO-2021158498-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-12 — — WO disclosed
WO-2021158498-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-12 — — WO disclosed
US-20140378416-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. 2014-12-25 — — 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-20230114683-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK2 CYP2A6 4227/4885CLK1 2401/4885CDK5 989/4885
US-20140378416-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1L, HBS1L, HAVCR2 CYP2A6 460/4885CLK1 2016/4885CDK5 1552/4885
US-12421230-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors IRAK4, IRAK3, IRAK2 CYP2A6 4227/4885CLK1 2401/4885CDK5 989/4885

“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.

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