Bms-345541

Bms-345541

SCHEMBL118886

Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 1.00
CHUK O15111 16/20 1.00
CDK11B P21127 2/20 1.00
CDK7 P50613 2/20 1.00
CDK13 Q14004 2/20 1.00
MAP3K19 Q56UN5 2/20 1.00
MYLK4 Q86YV6 2/20 1.00
CDK11A Q9UQ88 2/20 1.00
ERN1 O75460 1/20 1.00
RPS6KA4 O75676 1/20 1.00
PRKD3 O94806 1/20 1.00
CDK1 P06493 1/20 1.00
KIT P10721 1/20 1.00
CDK2 P24941 1/20 1.00
TYK2 P29597 1/20 1.00
CSNK1D P48730 1/20 1.00
CDK9 P50750 1/20 1.00
LIMK1 P53667 1/20 1.00
CDK16 Q00536 1/20 1.00
MAPK7 Q13164 1/20 1.00

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
Bms-345541 SCHEMBL29670419 1.00 IKBKB (1.00) IKBKBCHUKCDK11BCDK7CDK13
Bms-345541 SCHEMBL14141907 0.99 IKBKB (1.00) IKBKBCHUKCDK11BCDK7CDK13
Bms-345541 SCHEMBL30120667 0.99 IKBKB (1.00) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL25735941 0.89 IKBKB (0.80) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL17995389 0.77 IKBKB (0.62) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL20440096 0.76 BRD4 (0.69) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL14431616 0.76 IKBKB (1.00) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL18344276 0.74 IKBKB (0.59) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL31069482 0.74 IKBKB (0.59) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL14431694 0.74 IKBKB (0.69) IKBKBCHUKCDK11BCDK7CDK13

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113174387-B Hydrogel immobilized microorganism preservation method 浙江海洋大学 2022-12-02 CN claimed
CN-113174387-A Hydrogel immobilized microorganism preservation method 浙江海洋大学 2021-07-27 CN claimed
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION (US) 2005-04-07 US claimed
WO-2005009354-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-02-03 WO claimed
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) BRISTOL-MYERS SQUIBB COMPANY 2003-01-30 US claimed
US-12268690-B2 Treatments for mutations in acute myeloid leukemia OREGON HEALTH & SCIENCE UNIVERSITY (US) 2025-04-08 US disclosed
US-20240033265-A2 TREATMENTS FOR MUTATIONS IN ACUTE MYELOID LEUKEMIA OREGON HEALTH & SCIENCE UNIVERSITY 2024-02-01 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
WO-2023092094-A2 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. (US) 2023-05-25 WO disclosed
US-20040086896-A1 Polynucleotides and polypeptides associated with the NF-kB pathway BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 US disclosed
EP-1363993-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF I$g(k)B KINASE (IKK) Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
EP-1363993-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF I$g(k)B KINASE (IKK) Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) BRISTOL-MYERS SQUIBB COMPANY 2003-01-30 US disclosed
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) BRISTOL-MYERS SQUIBB COMPANY 2003-01-30 US disclosed
WO-2002060386-A3 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF IλB KINASE (IKK) BRISTOL MYERS SQUIBB CO (US) 2002-10-10 WO disclosed
WO-2002060386-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF IλB KINASE (IKK) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO disclosed
WO-2002060386-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF IλB KINASE (IKK) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 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 (4 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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS IKBKB 3547/4885CHUK 3193/4885CDK11B 1986/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 IKBKB 824/4885CHUK 657/4885CDK11B 514/4885
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) NFKBIA, IKBKG, IKBKB IKBKB 3/4885CHUK 6/4885CDK11B 1030/4885
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury IKBKE, IKBKG, IKBKB IKBKB 3/4885CHUK 4/4885CDK11B 303/4885

“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.