SCHEMBL4052890

SCHEMBL4052890

Cc1nc2ccc(Cl)nn2c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
TNF P01375 1/20 0.36
DYRK1A Q13627 6/20 0.33
DYRK2 Q92630 6/20 0.33
DYRK3 O43781 5/20 0.33
CCNA2 P20248 5/20 0.33
CDK2 P24941 5/20 0.33
CDK5 Q00535 5/20 0.33
CDK5R1 Q15078 5/20 0.33
DYRK1B Q9Y463 5/20 0.33
CCNT1 O60563 3/20 0.33
CDK9 P50750 3/20 0.33
MKNK1 Q9BUB5 1/20 0.33
NPC1 O15118 2/20 0.32

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
Bromide SCHEMBL10399879 0.98 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Bromide SCHEMBL7381858 0.98 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Bromide SCHEMBL7381867 0.98 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4053018 0.88 DYRK1A (0.41) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL23748001 0.82 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12798307 0.81 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL477062 0.78 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13122629 0.78 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31001942 0.78 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22330380 0.75 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4609731-A Process for brominating ergot alkaloids SANDOZ LTD. (CH) 1986-09-02 US claimed
US-20240124469-A1 PIM KINASE INHIBITOR HANGZHOU BIOSUN PHARMACEUTICAL CO., LTD. (CN) 2024-04-18 US disclosed
EP-4289847-A1 PIM KINASE INHIBITOR Hangzhou Biosun Pharmaceutical Co., Ltd. (CN) 2023-12-13 EP disclosed
CN-115991706-A PIM kinase inhibitors 杭州邦顺制药有限公司 2023-04-21 CN disclosed
CN-114409656-B PIM kinase inhibitors 杭州邦顺制药有限公司 2022-09-23 CN disclosed
WO-2022166860-A1 PIM KINASE INHIBITOR 杭州邦顺制药有限公司 2022-08-11 WO disclosed
CN-114409656-A PIM kinase inhibitors 杭州邦顺制药有限公司 2022-04-29 CN disclosed
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP disclosed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 WO disclosed
EP-0118848-B1 ERGOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL APPLICATION SCHERING AKTIENGESELLSCHAFT (DE) 1992-02-19 EP disclosed
US-4853390-A NEUROLEPTIC AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-01 US disclosed
US-4766128-A Optionally 11- to 13-substituted ergoline compounds useful as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-23 US disclosed
EP-0056358-B1 NOVEL (2-HALOERGOLINYL)-N'-N'-DIETHYLUREA DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND USE THEREOF AS MEDICINAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1987-04-22 EP disclosed
US-4609731-A Process for brominating ergot alkaloids SANDOZ LTD. (CH) 1986-09-02 US disclosed
US-4609731-A Process for brominating ergot alkaloids SANDOZ LTD. (CH) 1986-09-02 US disclosed
EP-0056358-A1 Novel (2-haloergolinyl)-N'-N'-diethylurea derivatives, process for the preparation thereof, and use thereof as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1982-07-21 EP 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 KDM4E 885/4885ALDH1A1 3770/4885SMN1; SMN2 2679/4885
US-20240124469-A1 PIM KINASE INHIBITOR PIM1, PIM2, PIM3 KDM4E 609/4885ALDH1A1 1562/4885SMN1; SMN2 3249/4885

“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.