SCHEMBL7228732

SCHEMBL7228732

COC(=O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)n2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.57
MAPK14 Q16539 9/20 0.54
ALOX5 P09917 2/20 0.50
MAPK13 O15264 3/20 0.49
GCGR P47871 3/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
PTGER1 P34995 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CSNK1D P48730 1/20 0.48
TEK Q02763 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA2A P29274 1/20 0.46

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
SCHEMBL4426390 1.00 RAF1 (0.57) RAF1MAPK14ALOX5MAPK13GCGR
SCHEMBL4422522 0.88 MAPK14 (0.59) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL5079652 0.88 MAPK14 (0.59) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL5082102 0.82 TEK (0.60) RAF1MAPK14ALOX5MAPK13GCGR
SCHEMBL4429243 0.82 TEK (0.60) RAF1MAPK14ALOX5MAPK13GCGR
SCHEMBL16497611 0.80 RAF1 (0.48) RAF1MAPK14ALOX5MAPK13GCGR
SCHEMBL4426392 0.79 MAPK14 (0.52) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL5488836 0.79 ALOX5 (0.47) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL7445283 0.79 MAPK14 (0.58) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL8488767 0.77 ALDH1A1 (0.47) RAF1MAPK14MAPK13MAPK12MAPK11

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-6288089-B1 ADMINISTERING A COMPOSITION OF PYRIDYL IMIDAZOLE COMPOUNDS TO TREAT PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, ALZHEIMER'S DISEASE, AND AMYOTOPHIC LATERAL SCLEROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-11 US claimed
CN-1083473-A New imidazolium compounds and pharmaceutical composition thereof SMITHKLINE BEECHAM CORP (US) 1994-03-09 CN claimed
US-6645989-B2 Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION 2003-11-11 US disclosed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
US-6288089-B1 ADMINISTERING A COMPOSITION OF PYRIDYL IMIDAZOLE COMPOUNDS TO TREAT PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, ALZHEIMER'S DISEASE, AND AMYOTOPHIC LATERAL SCLEROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-11 US disclosed
US-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 US disclosed
US-6235760-B1 CENTRAL NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2001-05-22 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 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 (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-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 RAF1 1862/4885MAPK14 3769/4885ALOX5 2555/4885

“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.